 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895301/Gau-1437.inp" -scrdir="/scratch/9895301/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1440.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer01_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:13:51 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922509000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541845000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123510000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811276000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176052000000     -0.206287000000
  H                                                 1.430941000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471376000000     -0.290315000000
  H                                                 2.491301000000     -2.182394000000      0.056578000000
  H                                                 2.421925000000     -1.030335000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481597000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:13:51 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727895   4.124974
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369282   1.417706   3.709417   4.150075   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873621   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432225   4.654616
    18  H    3.208731   1.945696   4.407173   4.632950   3.863897
    19  H    2.504981   3.938646   1.945000   3.233059   4.337546
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623915   4.769630   3.463968   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150613   2.686866
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529438   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437738   2.870619   2.578479   0.000000
    10  H    2.141578   2.661449   3.043490   2.078707   0.000000
    11  H    3.247327   2.587943   3.040888   4.036965   2.534271
    12  O    4.152469   2.817520   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611954   4.427556
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907446   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654067   2.377451   2.782299   4.818163   4.197911
    20  O    4.789895   5.372251   4.604604   6.502412   5.503186
    21  H    3.849335   5.789654   4.851187   6.061206   4.957312
    22  H    4.020952   4.958346   4.675131   5.827352   4.301071
    23  H    1.925349   5.005927   4.538512   3.360880   2.509527
    24  H    4.884718   4.768034   4.202992   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751834   2.947623   0.000000
    14  H    3.051637   2.636797   2.142255   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463414   3.700612   5.726706   4.657817   4.963467
    18  H    4.644197   5.592682   6.041103   4.810155   2.508692
    19  H    2.370616   0.965454   3.855864   3.479188   5.971006
    20  O    3.479466   2.817471   1.413151   2.605321   5.895981
    21  H    3.683036   3.968492   1.090076   2.515517   4.595155
    22  H    2.469589   3.225973   1.098430   3.047208   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101832   2.041023   1.939958   2.710347   6.104724
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809620   3.400236   0.000000
    19  H    4.875523   3.245647   5.692697   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355721   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993637   2.087007
    23  H    2.797508   5.194608   2.965819   6.097151   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604225   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109434           0.7353740           0.4929629
 Leave Link  202 at Wed Mar 16 19:13:52 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206451452 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0396489727 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.7809961725 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1687
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.16D-10
 GePol: Maximum weight of points                     =    0.20299
 GePol: Number of points with low weight             =     125
 GePol: Fraction of low-weight points (<1% of avg)   =       7.41%
 GePol: Cavity surface area                          =    224.646 Ang**2
 GePol: Cavity volume                                =    232.959 Ang**3
 Leave Link  301 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.58D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8537907.
 Iteration    1 A*A^-1 deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.17D-15 for   1661    286.
 Iteration    1 A^-1*A deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1687   1018.
 E= -687.337153387170    
 DIIS: error= 2.41D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.337153387170     IErMin= 1 ErrMin= 2.41D-03
 ErrMax= 2.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.26D-03 BMatP= 9.26D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.41D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.290 Goal=   None    Shift=    0.000
 GapD=    0.290 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.27D-02 MaxDP=1.16D+00              OVMax= 2.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.25D-02    CP:  1.06D+00
 E= -687.346615404214     Delta-E=       -0.009462017044 Rises=F Damp=F
 DIIS: error= 2.75D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.346615404214     IErMin= 2 ErrMin= 2.75D-04
 ErrMax= 2.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-04 BMatP= 9.26D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.75D-03
 Coeff-Com: -0.312D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.311D-02 0.100D+01
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=6.76D-04 MaxDP=6.36D-02 DE=-9.46D-03 OVMax= 3.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.00D-04    CP:  1.05D+00  1.02D+00
 E= -687.346483766920     Delta-E=        0.000131637294 Rises=F Damp=F
 DIIS: error= 4.01D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.346615404214     IErMin= 2 ErrMin= 2.75D-04
 ErrMax= 4.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-04 BMatP= 1.88D-04
 IDIUse=3 WtCom= 3.33D-01 WtEn= 6.67D-01
 Coeff-Com: -0.156D-01 0.611D+00 0.404D+00
 Coeff-En:   0.000D+00 0.642D+00 0.358D+00
 Coeff:     -0.518D-02 0.632D+00 0.373D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=9.10D-05 MaxDP=7.11D-03 DE= 1.32D-04 OVMax= 1.97D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.20D-05    CP:  1.05D+00  1.03D+00  9.25D-01
 E= -687.346772613326     Delta-E=       -0.000288846406 Rises=F Damp=F
 DIIS: error= 2.27D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.346772613326     IErMin= 4 ErrMin= 2.27D-05
 ErrMax= 2.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-06 BMatP= 1.88D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.346D-02 0.976D-01 0.436D-01 0.862D+00
 Coeff:     -0.346D-02 0.976D-01 0.436D-01 0.862D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=2.74D-05 MaxDP=1.66D-03 DE=-2.89D-04 OVMax= 2.76D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.05D+00  1.03D+00  9.52D-01  1.14D+00
 E= -687.346773169456     Delta-E=       -0.000000556130 Rises=F Damp=F
 DIIS: error= 1.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.346773169456     IErMin= 5 ErrMin= 1.82D-05
 ErrMax= 1.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-07 BMatP= 1.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.566D-03-0.322D-02-0.122D-01 0.458D+00 0.558D+00
 Coeff:     -0.566D-03-0.322D-02-0.122D-01 0.458D+00 0.558D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=8.16D-06 MaxDP=7.10D-04 DE=-5.56D-07 OVMax= 9.88D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.50D-06    CP:  1.05D+00  1.03D+00  9.60D-01  1.15D+00  7.46D-01
 E= -687.346773700934     Delta-E=       -0.000000531478 Rises=F Damp=F
 DIIS: error= 2.76D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.346773700934     IErMin= 6 ErrMin= 2.76D-06
 ErrMax= 2.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-08 BMatP= 5.73D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.336D-05-0.751D-02-0.682D-02 0.130D+00 0.220D+00 0.665D+00
 Coeff:      0.336D-05-0.751D-02-0.682D-02 0.130D+00 0.220D+00 0.665D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.74D-06 MaxDP=2.23D-04 DE=-5.31D-07 OVMax= 2.34D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.05D+00  1.03D+00  9.62D-01  1.16D+00  7.72D-01
                    CP:  9.79D-01
 E= -687.346773711546     Delta-E=       -0.000000010612 Rises=F Damp=F
 DIIS: error= 1.41D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.346773711546     IErMin= 7 ErrMin= 1.41D-06
 ErrMax= 1.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-09 BMatP= 1.70D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.707D-04-0.425D-02-0.264D-02 0.300D-01 0.717D-01 0.376D+00
 Coeff-Com:  0.529D+00
 Coeff:      0.707D-04-0.425D-02-0.264D-02 0.300D-01 0.717D-01 0.376D+00
 Coeff:      0.529D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=4.58D-07 MaxDP=2.50D-05 DE=-1.06D-08 OVMax= 9.11D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.25D-07    CP:  1.05D+00  1.03D+00  9.62D-01  1.16D+00  7.84D-01
                    CP:  9.87D-01  8.76D-01
 E= -687.346773714433     Delta-E=       -0.000000002887 Rises=F Damp=F
 DIIS: error= 2.05D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.346773714433     IErMin= 8 ErrMin= 2.05D-07
 ErrMax= 2.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-10 BMatP= 3.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-04-0.427D-03 0.724D-04-0.405D-02-0.145D-02 0.469D-01
 Coeff-Com:  0.175D+00 0.783D+00
 Coeff:      0.166D-04-0.427D-03 0.724D-04-0.405D-02-0.145D-02 0.469D-01
 Coeff:      0.175D+00 0.783D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=6.23D-06 DE=-2.89D-09 OVMax= 2.13D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.95D-08    CP:  1.05D+00  1.03D+00  9.62D-01  1.16D+00  7.84D-01
                    CP:  9.96D-01  9.14D-01  9.45D-01
 E= -687.346773714503     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 7.28D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.346773714503     IErMin= 9 ErrMin= 7.28D-08
 ErrMax= 7.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-12 BMatP= 1.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.404D-05-0.195D-04 0.142D-03-0.282D-02-0.310D-02 0.740D-02
 Coeff-Com:  0.584D-01 0.354D+00 0.586D+00
 Coeff:      0.404D-05-0.195D-04 0.142D-03-0.282D-02-0.310D-02 0.740D-02
 Coeff:      0.584D-01 0.354D+00 0.586D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=3.72D-08 MaxDP=3.14D-06 DE=-6.96D-11 OVMax= 5.53D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.59D-08    CP:  1.05D+00  1.03D+00  9.62D-01  1.16D+00  7.84D-01
                    CP:  9.97D-01  9.22D-01  9.55D-01  8.66D-01
 E= -687.346773714536     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 1.49D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.346773714536     IErMin=10 ErrMin= 1.49D-08
 ErrMax= 1.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-13 BMatP= 8.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.325D-06 0.250D-04 0.464D-04-0.775D-03-0.974D-03-0.909D-03
 Coeff-Com:  0.694D-02 0.689D-01 0.235D+00 0.692D+00
 Coeff:      0.325D-06 0.250D-04 0.464D-04-0.775D-03-0.974D-03-0.909D-03
 Coeff:      0.694D-02 0.689D-01 0.235D+00 0.692D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=1.16D-06 DE=-3.25D-11 OVMax= 1.18D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.13D-09    CP:  1.05D+00  1.03D+00  9.62D-01  1.16D+00  7.84D-01
                    CP:  9.97D-01  9.21D-01  9.59D-01  8.90D-01  8.75D-01
 E= -687.346773714476     Delta-E=        0.000000000060 Rises=F Damp=F
 DIIS: error= 4.91D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -687.346773714536     IErMin=11 ErrMin= 4.91D-09
 ErrMax= 4.91D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-14 BMatP= 5.36D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.696D-07 0.129D-04 0.127D-04-0.208D-03-0.261D-03-0.866D-03
 Coeff-Com: -0.402D-03 0.108D-01 0.734D-01 0.311D+00 0.607D+00
 Coeff:     -0.696D-07 0.129D-04 0.127D-04-0.208D-03-0.261D-03-0.866D-03
 Coeff:     -0.402D-03 0.108D-01 0.734D-01 0.311D+00 0.607D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=2.71D-09 MaxDP=3.62D-07 DE= 6.00D-11 OVMax= 3.88D-08

 Error on total polarization charges =  0.01567
 SCF Done:  E(RB3LYP) =  -687.346773714     A.U. after   11 cycles
            NFock= 11  Conv=0.27D-08     -V/T= 2.0057
 KE= 6.834223014748D+02 PE=-3.267712600521D+03 EE= 1.069162529159D+03
 Leave Link  502 at Wed Mar 16 19:18:19 2022, MaxMem=  5368709120 cpu:            2096.4 elap:             263.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.64550374D+02

 Leave Link  801 at Wed Mar 16 19:18:19 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8537907.
 Iteration    1 A*A^-1 deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.17D-15 for   1661    286.
 Iteration    1 A^-1*A deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1687   1018.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 2.00D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.82D-01 5.25D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.50D-02 2.96D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.58D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 3.52D-04 3.08D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 1.36D-05 4.83D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 3.29D-07 6.10D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 5.86D-09 7.90D-06.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 1.14D-10 1.06D-06.
      8 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 1.57D-12 1.17D-07.
      5 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 2.55D-14 1.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.91D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.127546D+03
      2  0.142850D+01  0.115936D+03
      3 -0.422172D+00 -0.189591D+01  0.993998D+02
 Isotropic polarizability for W=    0.088559      114.29 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.329109D+02 -0.101865D+02 -0.198413D+02
      2  -0.267848D+02  0.106916D+02  0.151691D+02
      3  -0.612612D+01 -0.505093D+00  0.467221D+01
      4  -0.214647D+02 -0.864348D+01 -0.264846D+01
      5  -0.119482D+02 -0.427588D+01  0.101783D+02
      6  -0.906533D+00  0.140120D+02 -0.115448D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.155917D+01 -0.492919D+01  0.609668D+01
      2  -0.470788D+01 -0.723899D+00  0.565597D+01
      3  -0.787888D+01 -0.115446D+02  0.176921D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.162742D+01 -0.115709D+01  0.110397D+02
      2  -0.789310D+01 -0.174193D+01  0.163044D+02
      3  -0.112782D+02 -0.181413D+02  0.336935D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.115798D+00  0.127799D+01  0.415728D+00
      2   0.127799D+01 -0.330462D+00  0.124255D+01
      3   0.415728D+00  0.124255D+01 -0.299195D+00
 OR G Eigenvalues:    -1.8252    -0.5108     1.8221  Iso=     0.1713
 Eigenvectors:
   (1)  -0.392074   0.762756  -0.514278
   (2)  -0.700770   0.114540   0.704132
   (3)   0.595986   0.636463   0.489608
 w=    0.088559 a.u., Optical Rotation Beta=      0.1713 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       48.21 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.80D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     191
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.09D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 4.20D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 7.94D-02 2.21D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.38D-03 4.97D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 1.69D-05 3.59D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 2.31D-07 4.60D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 9.76D-10 2.77D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 3.36D-12 1.54D-07.
     10 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 9.30D-15 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 6.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 6.94D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.127546D+03  0.142850D+01 -0.422172D+00
      2   0.142850D+01  0.115936D+03 -0.189591D+01
      3  -0.422172D+00 -0.189591D+01  0.993998D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.155917D+01 -0.492919D+01  0.609668D+01
      2  -0.470788D+01 -0.723899D+00  0.565597D+01
      3  -0.787888D+01 -0.115446D+02  0.176921D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.329109D+02 -0.101865D+02 -0.198413D+02
      2  -0.267848D+02  0.106916D+02  0.151691D+02
      3  -0.612612D+01 -0.505093D+00  0.467221D+01
      4  -0.214647D+02 -0.864348D+01 -0.264846D+01
      5  -0.119482D+02 -0.427588D+01  0.101783D+02
      6  -0.906533D+00  0.140120D+02 -0.115448D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.342768D+01  0.261132D+01 -0.993448D+00  0.191979D+01  0.278491D+01
      2   0.261132D+01  0.270886D+01  0.310570D+00  0.278491D+01 -0.486495D+01
      3  -0.993448D+00  0.310570D+00 -0.949421D+00  0.398065D+00 -0.144389D+01
                 6             7             8             9            10 
      1   0.398065D+00 -0.141677D+01  0.609529D+00 -0.526259D+00  0.432574D+01
      2  -0.144389D+01  0.609529D+00 -0.283111D+01 -0.103041D+01 -0.244928D+01
      3   0.121948D+01 -0.526259D+00 -0.103041D+01  0.121035D+02  0.148254D+01
                11            12            13            14            15 
      1  -0.244928D+01  0.148254D+01 -0.307854D+01 -0.261729D+01 -0.627411D+00
      2  -0.204856D+01 -0.362243D+00 -0.261729D+01  0.251731D+01  0.100611D+01
      3  -0.362243D+00 -0.175440D+01 -0.627411D+00  0.100611D+01  0.178907D+01
                16            17            18            19            20 
      1   0.259477D+01 -0.100416D+01  0.619633D+00  0.180011D+01 -0.295858D+01
      2  -0.100416D+01  0.158861D+01  0.598920D+00 -0.295858D+01 -0.239459D+01
      3   0.619633D+00  0.598920D+00 -0.123358D+02  0.107082D+01  0.190434D+00
                21            22            23            24            25 
      1   0.107082D+01 -0.433338D+01 -0.389601D+01  0.102514D+00  0.232354D+01
      2   0.190434D+00 -0.389601D+01  0.305930D+01  0.113425D+01  0.319279D+00
      3   0.142451D+01  0.102514D+00  0.113425D+01  0.200132D+01  0.151137D+00
                26            27            28            29            30 
      1   0.319279D+00  0.151137D+00  0.548699D+00  0.439416D+01 -0.129218D+01
      2   0.243898D+01  0.652221D+00  0.439416D+01  0.221947D+01  0.199807D-02
      3   0.652221D+00 -0.115807D+02 -0.129218D+01  0.199807D-02 -0.143272D+01
                31            32            33            34            35 
      1   0.453407D+01  0.362227D+01  0.125253D+00 -0.164184D+01  0.288442D+00
      2   0.362227D+01 -0.433761D+01 -0.115486D+01  0.288442D+00 -0.243125D+01
      3   0.125253D+00 -0.115486D+01 -0.111868D+01 -0.857558D+00  0.381993D-01
                36            37            38            39            40 
      1  -0.857558D+00  0.218020D+01 -0.402179D+01  0.629440D+00 -0.516263D+01
      2   0.381993D-01 -0.402179D+01 -0.595971D+00 -0.708755D+00 -0.128499D+01
      3   0.119646D+02  0.629440D+00 -0.708755D+00  0.129927D+00 -0.147898D+00
                41            42            43            44            45 
      1  -0.128499D+01 -0.147898D+00  0.356960D+01  0.222407D+00  0.233040D+00
      2  -0.400956D+01  0.115309D+01  0.222407D+00  0.169204D+01 -0.104374D+01
      3   0.115309D+01  0.109566D+01  0.233040D+00 -0.104374D+01 -0.188491D+01
                46            47            48            49            50 
      1  -0.478883D+01  0.118056D+01 -0.303067D+00  0.367059D+01  0.269369D+01
      2   0.118056D+01  0.234007D+01  0.127003D+01  0.269369D+01 -0.210216D+01
      3  -0.303067D+00  0.127003D+01 -0.691715D+00  0.107027D+00 -0.817732D+00
                51            52            53            54            55 
      1   0.107027D+00 -0.213289D+01  0.377684D+00  0.434838D+00  0.525642D+01
      2  -0.817732D+00  0.377684D+00 -0.234033D+01  0.380337D+00 -0.104070D+01
      3  -0.333877D+01  0.434838D+00  0.380337D+00  0.120260D+02  0.167982D+01
                56            57            58            59            60 
      1  -0.104070D+01  0.167982D+01 -0.493836D+00 -0.110645D+00 -0.340605D+00
      2   0.206762D+01 -0.251936D+00 -0.110645D+00  0.970433D+01  0.161950D+01
      3  -0.251936D+00  0.131709D+01 -0.340605D+00  0.161950D+01 -0.903907D+00
                61            62            63            64            65 
      1   0.249624D+01 -0.117831D+01 -0.178295D-01  0.572455D+00 -0.441496D+00
      2  -0.117831D+01  0.394949D+01  0.198929D+01 -0.441496D+00 -0.437189D+00
      3  -0.178295D-01  0.198929D+01 -0.216526D-01 -0.106627D+01 -0.344370D-01
                66            67            68            69            70 
      1  -0.106627D+01 -0.229667D+00 -0.411246D+00 -0.547997D-02 -0.205124D+01
      2  -0.344370D-01 -0.411246D+00  0.939614D+00 -0.120178D+01  0.113697D+00
      3   0.332321D+00 -0.547997D-02 -0.120178D+01  0.503524D+00 -0.127302D-02
                71            72            73            74            75 
      1   0.113697D+00 -0.127302D-02 -0.503784D+01  0.418486D+01 -0.133648D+01
      2  -0.218300D+01  0.105924D+01  0.418486D+01  0.119324D+01 -0.168169D+00
      3   0.105924D+01 -0.986706D+01 -0.133648D+01 -0.168169D+00  0.174936D+01
                76            77            78            79            80 
      1   0.772438D+01 -0.435259D+00  0.302041D+00 -0.377511D+01  0.308257D+00
      2  -0.435259D+00  0.411238D+01 -0.116662D+01  0.308257D+00 -0.140377D+01
      3   0.302041D+00 -0.116662D+01  0.617866D+00 -0.178285D+01  0.493295D+00
                81            82            83            84            85 
      1  -0.178285D+01 -0.830247D+00  0.455570D+00  0.118193D+01  0.374672D+00
      2   0.493295D+00  0.455570D+00  0.345139D+00  0.677868D-01  0.346709D+00
      3   0.394286D-01  0.118193D+01  0.677868D-01 -0.361426D+00  0.850069D-01
                86            87            88            89            90 
      1   0.346709D+00  0.850069D-01  0.230273D+01  0.151450D+00 -0.931481D+00
      2  -0.575616D+00  0.115510D+01  0.151450D+00  0.184608D+01 -0.318914D+00
      3   0.115510D+01 -0.680801D+00 -0.931481D+00 -0.318914D+00  0.100088D+02
                91            92            93            94            95 
      1  -0.345689D+00  0.282004D+00  0.116676D+01  0.434378D+00  0.568248D+00
      2   0.282004D+00  0.576669D+00  0.456318D-01  0.568248D+00 -0.495723D+00
      3   0.116676D+01  0.456318D-01 -0.505615D-01  0.622797D-01  0.998042D+00
                96            97            98            99           100 
      1   0.622797D-01  0.214291D+01 -0.139172D-01  0.332627D+00  0.728050D+01
      2   0.998042D+00 -0.139172D-01  0.200670D+01  0.158937D+00  0.263478D+01
      3  -0.416411D+00  0.332627D+00  0.158937D+00  0.972969D+01 -0.928328D+00
               101           102           103           104           105 
      1   0.263478D+01 -0.928328D+00  0.984110D+00  0.404971D+01  0.259660D+00
      2   0.438479D+01  0.266345D+00  0.404971D+01 -0.356758D+01 -0.126305D+01
      3   0.266345D+00 -0.583071D+00  0.259660D+00 -0.126305D+01 -0.163258D+01
               106           107           108           109           110 
      1  -0.225710D+01 -0.533999D+00  0.133968D+01  0.107124D+01 -0.372893D+01
      2  -0.533999D+00 -0.272494D+01  0.722750D+00 -0.372893D+01  0.924351D+00
      3   0.133968D+01  0.722750D+00  0.137562D+00  0.220127D+01 -0.579200D+00
               111           112           113           114           115 
      1   0.220127D+01 -0.385861D+01 -0.238331D+01  0.946272D-01  0.385901D+01
      2  -0.579200D+00 -0.238331D+01  0.906803D+01  0.168209D+01  0.335610D-01
      3   0.179511D+01  0.946272D-01  0.168209D+01 -0.757654D+00 -0.364588D+00
               116           117           118           119           120 
      1   0.335610D-01 -0.364588D+00  0.104195D+01 -0.702885D+00 -0.126052D+01
      2   0.192614D+01  0.128682D+01 -0.702885D+00 -0.121435D+00 -0.806592D-01
      3   0.128682D+01 -0.108193D+02 -0.126052D+01 -0.806592D-01  0.981963D+00
               121           122           123           124           125 
      1  -0.786196D+00 -0.152605D+00 -0.111998D+00 -0.287444D+01 -0.185367D+00
      2  -0.152605D+00  0.307048D+00 -0.109600D+01 -0.185367D+00 -0.157867D+01
      3  -0.111998D+00 -0.109600D+01 -0.112701D+00  0.129896D+01 -0.534796D+00
               126           127           128           129           130 
      1   0.129896D+01 -0.511103D+01 -0.312478D+01  0.264844D+00 -0.321443D+01
      2  -0.534796D+00 -0.312478D+01 -0.325785D+01 -0.369078D-01 -0.343258D+01
      3  -0.989119D+01  0.264844D+00 -0.369078D-01  0.324869D+00 -0.462601D+00
               131           132           133           134           135 
      1  -0.343258D+01 -0.462601D+00 -0.764785D+00 -0.837790D+00 -0.114336D+00
      2  -0.637578D+01 -0.519316D+00 -0.837790D+00 -0.203486D+01  0.103199D+01
      3  -0.519316D+00  0.210970D+01 -0.114336D+00  0.103199D+01 -0.687358D+01
               136           137           138           139           140 
      1  -0.281331D-01 -0.450345D+00 -0.139987D+01 -0.566493D+00 -0.690435D+00
      2  -0.450345D+00 -0.533918D+00 -0.145476D+00 -0.690435D+00 -0.325078D+00
      3  -0.139987D+01 -0.145476D+00 -0.273298D+00  0.896971D-01 -0.106820D+01
               141           142           143           144           145 
      1   0.896971D-01 -0.265610D+01 -0.389379D+00 -0.128140D+01 -0.675310D+01
      2  -0.106820D+01 -0.389379D+00 -0.166589D+01 -0.145740D+01  0.358100D+01
      3  -0.159820D+00 -0.128140D+01 -0.145740D+01 -0.102227D+02 -0.669480D+00
               146           147           148           149           150 
      1   0.358100D+01 -0.669480D+00  0.270364D+01 -0.206222D+01  0.136398D+00
      2  -0.441044D+01  0.102434D+00 -0.206222D+01  0.278602D+01 -0.243344D+00
      3   0.102434D+00 -0.151548D+01  0.136398D+00 -0.243344D+00  0.971447D+00
               151           152           153           154           155 
      1  -0.153587D+01  0.720660D+00 -0.680088D+00 -0.762451D+01 -0.245159D+01
      2   0.720660D+00 -0.108943D+01  0.634044D+00 -0.245159D+01 -0.257987D+01
      3  -0.680088D+00  0.634044D+00 -0.131464D+00 -0.301731D-01  0.609313D-01
               156           157           158           159           160 
      1  -0.301731D-01 -0.548462D+01 -0.209576D+01 -0.142161D+00  0.924720D+00
      2   0.609313D-01 -0.209576D+01 -0.299521D+01  0.293262D+00  0.248857D+00
      3  -0.145990D+01 -0.142161D+00  0.293262D+00 -0.903971D+00 -0.759527D+00
               161           162           163           164           165 
      1   0.248857D+00 -0.759527D+00 -0.624036D+00  0.646649D+00  0.235755D+00
      2   0.472134D+00 -0.180386D+00  0.646649D+00 -0.128396D+01 -0.109134D+00
      3  -0.180386D+00 -0.786655D-01  0.235755D+00 -0.109134D+00  0.116883D+00
               166           167           168           169           170 
      1   0.282412D+01  0.553130D+00 -0.166762D+00  0.651523D+00 -0.869061D-01
      2   0.553130D+00  0.989548D+01  0.636004D+00 -0.869061D-01  0.159757D+01
      3  -0.166762D+00  0.636004D+00  0.165082D+01  0.151109D+00  0.812539D+00
               171           172           173           174           175 
      1   0.151109D+00  0.101427D+02  0.114013D+01 -0.166099D+01  0.105472D+00
      2   0.812539D+00  0.114013D+01  0.841304D+00  0.271243D+00  0.326701D+01
      3   0.128259D+00 -0.166099D+01  0.271243D+00 -0.268372D+00  0.206118D+00
               176           177           178           179           180 
      1   0.326701D+01  0.206118D+00 -0.346469D+01 -0.264965D+00  0.209969D+01
      2  -0.600239D+01 -0.621881D+00 -0.264965D+00 -0.692880D+00  0.495109D-01
      3  -0.621881D+00 -0.137281D+01  0.209969D+01  0.495109D-01 -0.474437D+00
               181           182           183           184           185 
      1   0.681133D+00 -0.117196D+01 -0.617156D+00 -0.260943D+01  0.265973D+01
      2  -0.117196D+01  0.620064D+00  0.103986D+00  0.265973D+01 -0.112984D+02
      3  -0.617156D+00  0.103986D+00  0.256810D+00  0.108645D+00 -0.949301D+00
               186           187           188           189           190 
      1   0.108645D+00 -0.138372D+01  0.448092D+00  0.496684D+00  0.182421D-01
      2  -0.949301D+00  0.448092D+00 -0.206185D+01 -0.135743D+01  0.341426D+00
      3  -0.107874D+01  0.496684D+00 -0.135743D+01  0.261861D+00  0.120242D+01
               191           192           193           194           195 
      1   0.341426D+00  0.120242D+01  0.100027D+01  0.243337D+00 -0.126807D-01
      2   0.235543D-01  0.618407D-01  0.243337D+00 -0.963472D+00  0.100153D+01
      3   0.618407D-01 -0.197062D+00 -0.126807D-01  0.100153D+01  0.715642D+00
               196           197           198           199           200 
      1   0.238069D+01 -0.229995D+00  0.107194D+01 -0.457571D+00 -0.234361D+00
      2  -0.229995D+00  0.162531D+01 -0.137227D+01 -0.234361D+00 -0.950391D-01
      3   0.107194D+01 -0.137227D+01  0.108805D+02  0.361718D+00 -0.145980D+00
               201           202           203           204           205 
      1   0.361718D+00 -0.586283D+00 -0.350176D+00  0.298823D+00  0.243705D+01
      2  -0.145980D+00 -0.350176D+00 -0.153788D+01  0.947022D+00  0.111436D+01
      3   0.399972D+00  0.298823D+00  0.947022D+00 -0.163094D+01 -0.125304D+01
               206           207           208           209           210 
      1   0.111436D+01 -0.125304D+01  0.109247D+00  0.132421D+01  0.806374D-01
      2   0.348553D+01 -0.285139D+01  0.132421D+01 -0.486317D+00 -0.130333D+00
      3  -0.285139D+01  0.714148D+01  0.806374D-01 -0.130333D+00  0.708605D+00
               211           212           213           214           215 
      1   0.412861D+01 -0.866217D+00 -0.358558D+00  0.271759D+00 -0.231487D+00
      2  -0.866217D+00  0.706192D+01 -0.800059D-01 -0.231487D+00  0.409390D+00
      3  -0.358558D+00 -0.800059D-01  0.143325D+01  0.340882D+00  0.238628D+00
               216 
      1   0.340882D+00
      2   0.238628D+00
      3  -0.240244D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124907D+01  0.162815D+00 -0.447303D+00 -0.170975D+01  0.231689D+01
      2   0.116513D+01 -0.528394D-01  0.133867D+01  0.971554D+00  0.191999D+01
      3  -0.134798D+01  0.104573D+01 -0.102158D+01  0.615069D+01 -0.133724D+01
                 6             7             8             9            10 
      1   0.125526D+01  0.743097D+00  0.392791D+01 -0.112185D+02 -0.719695D+00
      2   0.870217D-01 -0.269227D+01 -0.669056D-02 -0.707543D+01 -0.278095D+01
      3  -0.129956D+00 -0.933277D+00 -0.223022D+01 -0.125982D+01 -0.344074D+01
                11            12            13            14            15 
      1  -0.257489D+01 -0.843464D+00 -0.340084D+00 -0.158294D+01 -0.209590D+01
      2  -0.343112D+00  0.320213D+00  0.327932D+00 -0.155658D+01 -0.258536D+01
      3  -0.545280D+01 -0.211255D+00  0.858179D+00  0.307110D+01  0.269438D+01
                16            17            18            19            20 
      1  -0.120283D+01  0.248978D+01 -0.104550D+01 -0.197503D+01  0.107723D+00
      2  -0.368148D+01 -0.133952D+01  0.165644D+02 -0.316460D+00  0.133600D+01
      3  -0.110319D+01  0.251593D+01  0.113395D+01  0.255837D+01 -0.429206D+01
                21            22            23            24            25 
      1   0.802331D+00 -0.127626D+01 -0.147968D+01 -0.707803D+00  0.499973D+00
      2  -0.206350D+00  0.388023D+00  0.115657D+01 -0.200114D+00 -0.405556D+01
      3   0.203397D+00  0.198629D+01 -0.430181D+01 -0.175959D+01  0.236091D+01
                26            27            28            29            30 
      1   0.203161D+01  0.692398D+01 -0.204765D+01  0.826041D+00  0.128932D+01
      2   0.467636D+00 -0.638937D+01 -0.203611D+01  0.117918D+01 -0.369420D+01
      3  -0.108790D+01 -0.507872D+00 -0.767038D+01 -0.926114D+01  0.327583D+00
                31            32            33            34            35 
      1  -0.635665D+00  0.122785D+00  0.400550D-01  0.777636D-01  0.326787D+01
      2  -0.680065D+00 -0.117062D+01 -0.363556D+01 -0.558413D+01  0.673482D+00
      3  -0.556222D+01  0.691286D+01  0.213887D+01  0.685497D+00  0.104596D+01
                36            37            38            39            40 
      1   0.518189D+01  0.233450D+01 -0.282866D+00 -0.136408D+01  0.449287D+00
      2   0.177092D+02  0.944409D+00  0.266843D+00  0.135111D+02 -0.103428D+00
      3   0.657751D+00 -0.340803D+01 -0.186244D+01 -0.170443D+01  0.204277D+02
                41            42            43            44            45 
      1   0.849095D+00 -0.549065D+01  0.205859D+01  0.291681D+01 -0.196989D-01
      2  -0.150556D+00  0.702486D+00 -0.791400D+01 -0.154351D+01  0.141859D+01
      3   0.243664D+01  0.613098D-01 -0.523573D+01 -0.539764D+00 -0.368963D+00
                46            47            48            49            50 
      1  -0.554319D+00  0.353442D+00 -0.739766D+00 -0.100119D+01 -0.212914D+00
      2   0.142244D+01  0.220383D+00 -0.587917D+01 -0.188436D+00  0.221016D+01
      3   0.856882D+01  0.550416D+01  0.986965D+00 -0.605132D+00 -0.213852D+01
                51            52            53            54            55 
      1  -0.702579D+00 -0.192490D+01  0.287029D+01  0.111819D+02 -0.470785D+01
      2   0.476981D+01 -0.445360D+01 -0.165378D+01 -0.183847D+02 -0.402509D+01
      3  -0.206570D+01  0.226061D+01 -0.274406D+01 -0.299044D+00  0.173790D+02
                56            57            58            59            60 
      1   0.180457D+01 -0.202744D+01  0.234943D+01 -0.430591D+01 -0.692823D+01
      2   0.318092D+01  0.125052D+01  0.843664D+00 -0.239219D+01 -0.212709D+00
      3  -0.615157D+01  0.293161D+01  0.454017D+01  0.101906D+02  0.145964D+00
                61            62            63            64            65 
      1  -0.103488D+01  0.141331D+01 -0.313677D+01  0.126574D+01 -0.127607D-01
      2  -0.511373D+01 -0.271704D+00 -0.105060D+01  0.989623D+00 -0.528105D+00
      3   0.684742D+01  0.197394D+01  0.182922D+01  0.356374D+00 -0.188488D+01
                66            67            68            69            70 
      1  -0.507236D+00  0.121668D+00  0.146028D+01 -0.853493D+00 -0.292415D+00
      2   0.121810D+01 -0.347839D+00  0.455863D+00 -0.249361D-01 -0.458520D+01
      3  -0.116457D+01  0.652040D+00  0.179745D+00 -0.792295D+00 -0.271492D+01
                71            72            73            74            75 
      1   0.417300D+01  0.112054D+02 -0.119132D+01  0.979609D-01  0.165305D+01
      2  -0.483440D+00  0.640890D+01  0.596299D+01  0.159678D+01  0.460942D+01
      3  -0.116482D+01  0.983327D+00  0.127662D+02 -0.385487D+00 -0.384867D+00
                76            77            78            79            80 
      1  -0.234984D+01 -0.658890D+00 -0.303705D+01  0.157274D+01  0.387830D+01
      2   0.145076D+01  0.322357D+01 -0.427233D+01 -0.133013D+01 -0.159762D+01
      3   0.865443D+01  0.184879D+02 -0.220829D+01 -0.229114D+00 -0.589457D+01
                81            82            83            84            85 
      1   0.655412D+00  0.154866D+00  0.332286D+00 -0.245064D-01  0.619583D+00
      2   0.261007D+01 -0.205590D+01 -0.173241D+00  0.104881D+01  0.670421D-01
      3   0.855188D+00  0.836485D+00 -0.446421D+00  0.111934D+00  0.174119D+01
                86            87            88            89            90 
      1  -0.436224D+00 -0.187918D+01  0.307653D+00  0.462536D+01 -0.101491D+01
      2  -0.195771D+01  0.117765D+01 -0.377169D+01  0.434119D+00 -0.156314D+02
      3  -0.616417D+00  0.145078D+01  0.308020D+00  0.329614D+01  0.539546D-01
                91            92            93            94            95 
      1  -0.864163D+00  0.231631D+00  0.522932D+00  0.209665D+00 -0.125648D+01
      2   0.158876D+01  0.184593D+00  0.473733D+00  0.546140D+00  0.205286D+00
      3  -0.359892D+00 -0.115168D+01  0.831059D+00  0.126387D+01  0.264011D+00
                96            97            98            99           100 
      1  -0.814182D+00 -0.449947D+00  0.483778D+01 -0.748835D+01  0.230736D+01
      2  -0.658227D+00 -0.517038D+01  0.371580D+00  0.601346D+01 -0.188940D+01
      3  -0.395607D+00  0.131741D+01 -0.136941D+01 -0.885751D-01  0.101476D+02
               101           102           103           104           105 
      1  -0.256708D+00 -0.244911D+01  0.102624D+01  0.502464D+01 -0.270417D+01
      2  -0.802702D+00  0.623285D+01  0.493066D+00 -0.200118D+01  0.900742D+00
      3  -0.124905D+02 -0.148982D+01 -0.185473D+01  0.154384D+02  0.278694D+01
               106           107           108           109           110 
      1  -0.186418D+01  0.409335D+01  0.186911D+01  0.186668D+01 -0.240486D+00
      2  -0.191516D+01  0.104826D+01 -0.151606D+01  0.318460D+01 -0.586466D+00
      3  -0.483051D+01  0.492617D+01  0.718103D+00  0.402388D+01  0.381203D+01
               111           112           113           114           115 
      1   0.267132D+01 -0.199754D+01  0.885394D+01 -0.123385D+01 -0.170254D+01
      2   0.896127D+00  0.312700D+00  0.401327D+01 -0.367605D+01 -0.477439D+01
      3  -0.124473D+01  0.131337D+02 -0.173936D+02 -0.394574D+01 -0.358170D+01
               116           117           118           119           120 
      1   0.316409D+01 -0.160339D+02 -0.451194D+00  0.674413D-01  0.788557D+00
      2   0.321868D+01 -0.224851D+02 -0.120179D+01 -0.472332D+00  0.250272D+01
      3  -0.482437D+01 -0.281744D+01  0.495182D+00 -0.201914D+00  0.111519D+01
               121           122           123           124           125 
      1  -0.518108D-01 -0.110710D+01 -0.959938D+00  0.418205D+00  0.419470D+01
      2   0.253393D-01 -0.140523D+01  0.149956D-01 -0.419239D+01 -0.563839D+00
      3   0.236255D+01 -0.109926D+01  0.154490D+01  0.241003D+01  0.278364D+01
               126           127           128           129           130 
      1  -0.478804D+01  0.205185D+00 -0.493258D+00 -0.211118D+01  0.379494D+00
      2  -0.127461D+02 -0.662986D+00 -0.171136D+01  0.670833D+01  0.665665D+00
      3  -0.523595D+00  0.649448D+01 -0.745830D+01  0.710383D+00  0.705444D+01
               131           132           133           134           135 
      1   0.358149D+00 -0.343084D+01  0.204838D+01  0.583352D+01 -0.158810D+02
      2   0.739420D+00 -0.164147D+01 -0.147199D+01 -0.350835D+01  0.139156D+02
      3  -0.647605D+01 -0.591680D+00  0.518159D+00 -0.120577D+01  0.287151D+01
               136           137           138           139           140 
      1  -0.149865D+01  0.238137D-01 -0.386486D+00  0.820393D+00 -0.131722D+01
      2   0.216637D+01 -0.959074D-02  0.118052D+01  0.213128D+00  0.112626D+01
      3  -0.657803D+00 -0.158110D+01  0.199179D+01  0.836322D+00  0.116220D+01
               141           142           143           144           145 
      1  -0.790736D+00 -0.853443D+00  0.364986D+01 -0.108514D+02  0.367057D+01
      2  -0.356693D+00 -0.384031D+01  0.157315D+01  0.145035D+02  0.367433D+01
      3  -0.154860D+01  0.369149D+01 -0.205397D+01  0.927337D+00 -0.176462D+02
               146           147           148           149           150 
      1  -0.171060D+01  0.443533D+01 -0.111645D+01  0.135283D+01 -0.221308D+01
      2  -0.209693D+01  0.331708D+01 -0.142693D+01  0.115647D+01 -0.174904D+01
      3   0.266886D+01 -0.221206D+01  0.531335D+01 -0.277055D+01  0.138430D+00
               151           152           153           154           155 
      1   0.215571D+01 -0.103364D+01  0.667062D+00  0.159547D+01  0.980733D+00
      2   0.865718D+00 -0.120736D+01  0.623251D+00 -0.273483D+01 -0.145602D+01
      3  -0.451741D+01  0.407151D+00 -0.118735D+01 -0.113004D+02 -0.109155D+02
               156           157           158           159           160 
      1  -0.464925D+00  0.136332D+01  0.100979D+01 -0.461869D+00 -0.216024D+00
      2   0.486230D+01 -0.206887D+01 -0.202189D+01  0.362024D+01  0.170469D+01
      3   0.161501D+00 -0.862108D+01 -0.145734D+02  0.109640D+01  0.103783D+01
               161           162           163           164           165 
      1   0.744293D+00  0.281936D+00 -0.482093D+00  0.740587D+00  0.343691D+00
      2   0.873410D+00  0.170836D-01  0.569424D+00 -0.316325D+00 -0.271165D+00
      3   0.252687D+01 -0.787981D+00 -0.506480D+01  0.512202D+01  0.106787D+01
               166           167           168           169           170 
      1   0.540123D+00 -0.350817D+01 -0.456630D+01 -0.228667D+00 -0.136546D+01
      2  -0.492269D+00  0.822675D+00  0.213540D+01 -0.815408D+00  0.123177D+01
      3   0.806695D+01 -0.209160D+02 -0.205034D+01  0.242742D+01 -0.392199D+01
               171           172           173           174           175 
      1  -0.592656D+00 -0.120104D+01 -0.102363D+01 -0.214590D+01  0.117076D+01
      2   0.191185D+00 -0.429910D+01 -0.896320D+00  0.859683D+01  0.525064D+00
      3  -0.113412D+01 -0.104085D+02 -0.143763D+02  0.161407D+01 -0.960308D+01
               176           177           178           179           180 
      1   0.210105D+01 -0.421031D+01  0.242257D+01  0.458745D+01  0.543374D+00
      2  -0.161408D+01 -0.218536D+01  0.163575D+01  0.860930D-01 -0.370561D+01
      3   0.245578D+02  0.101558D+01  0.223187D+01  0.430553D+01 -0.218448D+01
               181           182           183           184           185 
      1  -0.166359D+01  0.534466D+00  0.815283D+00  0.109002D+01 -0.592374D+01
      2  -0.149457D+01  0.617168D+00  0.171389D+01  0.495611D+00 -0.240542D+01
      3   0.211938D+01 -0.113810D+01  0.727473D+00  0.100539D+01  0.236469D+02
               186           187           188           189           190 
      1  -0.526888D+01  0.110691D+01 -0.181284D+01 -0.371345D+00  0.218943D+01
      2  -0.295924D+01  0.563551D+00 -0.322420D+01  0.469224D+00  0.359772D+01
      3   0.223134D+01  0.212373D+01  0.405548D+01  0.248162D+01 -0.691799D-01
               191           192           193           194           195 
      1   0.144741D-01 -0.138941D+00 -0.697621D-01  0.962393D+00  0.788216D+00
      2  -0.169781D+00  0.283267D+00 -0.942042D+00  0.260832D+01  0.167893D+01
      3  -0.153094D+01 -0.163808D+01 -0.112585D+01  0.171283D+01 -0.212409D+01
               196           197           198           199           200 
      1   0.884265D+00  0.309671D+01  0.149242D+02  0.845398D+00  0.256036D-01
      2  -0.317121D+01 -0.286457D+01  0.251698D+02 -0.193122D+01  0.971972D-02
      3  -0.272517D+01 -0.371306D+01  0.264785D+01 -0.276634D+00  0.156146D+00
               201           202           203           204           205 
      1   0.115507D+01  0.574729D+00  0.229913D+01 -0.369507D+01 -0.321245D+01
      2  -0.107142D+01 -0.788403D+00 -0.226429D+01  0.351509D+01  0.142507D+00
      3  -0.121061D+01  0.751166D+00 -0.213081D+01  0.144902D+01 -0.351275D+01
               206           207           208           209           210 
      1  -0.447573D+01  0.180112D+02 -0.327658D+00  0.291618D+00 -0.826534D+00
      2   0.638852D+01 -0.156023D+02 -0.469280D-01  0.763863D-01  0.758180D+00
      3   0.452096D+01 -0.335454D+01 -0.481253D+01  0.429965D+01  0.448403D+00
               211           212           213           214           215 
      1   0.431798D-01 -0.397455D+01  0.260167D+00 -0.596325D+00  0.864235D+00
      2  -0.287413D+00 -0.698112D+00  0.555472D+01 -0.156303D+00  0.118286D+01
      3   0.635084D+01 -0.335923D+02  0.647877D+00  0.116338D+01 -0.160787D+01
               216 
      1   0.493109D-01
      2  -0.817455D+00
      3  -0.646039D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.265198D+01 -0.868581D+01 -0.339719D+00 -0.599809D+01  0.147178D+02
      2   0.200008D+01  0.122029D+02 -0.980933D+00  0.756681D+01 -0.281259D+02
      3  -0.465206D+01 -0.351707D+01  0.132065D+01 -0.156872D+01  0.134081D+02
      4  -0.403578D+01 -0.273874D+01 -0.950370D+00 -0.997907D+01  0.113927D+02
      5   0.215823D+01 -0.123446D+01 -0.895591D+00 -0.388084D+01  0.181045D+01
      6   0.716087D+00  0.219508D+01  0.971325D+00  0.307678D+01 -0.784229D+01
                 6             7             8             9            10 
      1   0.303914D+01  0.194414D+01  0.441124D+01  0.123425D+02 -0.245592D+02
      2  -0.813976D+00 -0.571365D+00 -0.120213D+02  0.653398D+01  0.118671D+02
      3  -0.222516D+01 -0.137278D+01  0.761007D+01 -0.188765D+02  0.126921D+02
      4   0.262000D+01 -0.234549D+01  0.383416D+01  0.465561D+00  0.128132D+02
      5   0.652127D+00  0.122931D+01  0.174156D+01 -0.152745D+02 -0.875896D+01
      6  -0.101814D+02 -0.584062D-01 -0.360058D+01  0.292059D+02  0.293283D+00
                11            12            13            14            15 
      1   0.596774D+01 -0.127874D+01  0.111831D+02  0.743710D+01  0.122642D+01
      2  -0.704381D+00  0.483510D+01 -0.651201D+01 -0.129203D+01 -0.166547D+01
      3  -0.526336D+01 -0.355636D+01 -0.467112D+01 -0.614507D+01  0.439052D+00
      4  -0.439230D+01  0.125720D+01  0.621934D+01 -0.652996D+01 -0.249843D+01
      5   0.110981D+01 -0.542829D+01  0.316140D+01 -0.771902D+00 -0.474994D+01
      6  -0.251451D+01  0.250099D+01 -0.136929D+01  0.430501D+00  0.296214D+00
                16            17            18            19            20 
      1  -0.129916D+02  0.276695D+01  0.822308D+01 -0.884903D+01  0.128944D+01
      2   0.439125D+01 -0.278410D+01  0.105097D+02  0.169878D+01 -0.830024D+01
      3   0.860039D+01  0.171487D-01 -0.187328D+02  0.715024D+01  0.701081D+01
      4   0.661456D+01 -0.430819D+01 -0.273024D+01 -0.829253D+01 -0.110445D+02
      5  -0.243488D+01 -0.257100D+01  0.414033D+02  0.295494D+01  0.162185D+01
      6   0.494236D+00  0.438069D+00  0.111159D+01 -0.231845D+00  0.178084D+01
                21            22            23            24            25 
      1  -0.166736D+01 -0.791795D+01 -0.459749D+01 -0.291462D+01  0.283177D+01
      2  -0.247965D+01  0.813312D+00  0.288036D+01 -0.838368D-01  0.130126D+01
      3   0.414701D+01  0.710463D+01  0.171713D+01  0.299846D+01 -0.413304D+01
      4   0.640549D+00 -0.136727D+02 -0.340201D+01 -0.449050D-01  0.456328D+01
      5  -0.612989D+01  0.254921D+01  0.497672D+00 -0.126814D+01  0.625235D+00
      6  -0.262586D+01 -0.323536D-01  0.385186D+01 -0.262460D+01 -0.465787D+00
                26            27            28            29            30 
      1   0.295254D+00  0.991849D+01 -0.118151D+02  0.133667D+02 -0.584271D+01
      2   0.141392D+01  0.125110D+02  0.478826D+01 -0.108991D+02  0.246632D+00
      3  -0.170918D+01 -0.224295D+02  0.702680D+01 -0.246762D+01  0.559608D+01
      4   0.482089D+01  0.836997D+00 -0.228042D+01 -0.101417D+02  0.354609D+01
      5   0.374344D+00 -0.152910D+02 -0.534284D+01  0.207370D+01 -0.131128D+02
      6   0.282613D+01 -0.170860D+02  0.491775D+01 -0.974262D+00  0.945798D-01
                31            32            33            34            35 
      1   0.907834D+01  0.681425D+01 -0.427246D+01 -0.305913D+01 -0.928058D+00
      2  -0.602858D+01 -0.632124D+01 -0.574557D-01 -0.307260D+01  0.265260D+01
      3  -0.304977D+01 -0.493009D+00  0.432992D+01  0.613173D+01 -0.172455D+01
      4  -0.895213D+01 -0.179825D+02 -0.191633D+01  0.167611D+01 -0.294788D+01
      5  -0.158442D-01 -0.898977D+00 -0.679529D+01 -0.463731D+01 -0.794170D-01
      6  -0.660028D+00  0.173051D+01 -0.438846D+01  0.749945D+00 -0.101588D+01
                36            37            38            39            40 
      1   0.938251D+01  0.439919D+01 -0.268510D+01 -0.133356D+01  0.568173D-02
      2   0.998870D+01 -0.827965D+00  0.292313D+01 -0.259736D+00  0.102685D+01
      3  -0.193712D+02 -0.357122D+01 -0.238031D+00  0.159329D+01 -0.103253D+01
      4   0.565397D+00 -0.800770D+00  0.220666D+02 -0.176316D+01  0.176552D+02
      5   0.342590D+02  0.200505D+01 -0.655661D-01  0.258533D+02 -0.168775D+01
      6  -0.126601D+02 -0.203517D+01  0.236529D+01  0.308677D+01 -0.489080D+00
                41            42            43            44            45 
      1  -0.188493D+02  0.533748D+01  0.144353D+01  0.418327D+01 -0.987371D+01
      2   0.254175D+02 -0.105884D+01 -0.227252D+01 -0.437331D+01 -0.289576D+01
      3  -0.656821D+01 -0.427865D+01  0.828983D+00  0.190043D+00  0.127695D+02
      4   0.382996D+01 -0.369812D+00 -0.748551D+01  0.170327D+00 -0.132539D+01
      5  -0.102802D+01  0.249141D+01  0.706177D+01  0.346781D-01  0.272169D+01
      6  -0.417596D+01  0.754537D+01 -0.761712D+00  0.907990D+01  0.103872D+01
                46            47            48            49            50 
      1  -0.135498D+02  0.203793D+01  0.621297D+01 -0.939053D+01 -0.182734D+01
      2   0.719465D+01 -0.877890D+01 -0.202849D+01 -0.925146D+00 -0.817672D+01
      3   0.635512D+01  0.674097D+01 -0.418447D+01  0.103157D+02  0.100041D+02
      4   0.826608D+00 -0.277525D+02 -0.157330D+01 -0.229673D+02 -0.501716D+01
      5   0.753845D+00 -0.116764D+01 -0.157583D+02  0.224770D+01  0.117377D+01
      6  -0.420330D+00 -0.336599D+01 -0.219798D+01  0.831821D+00  0.189176D+01
                51            52            53            54            55 
      1  -0.177780D+01  0.540325D+01 -0.225527D+01  0.137421D+02 -0.423078D+01
      2  -0.156684D+01  0.195304D+01  0.989618D+01  0.131554D+02 -0.403908D+01
      3   0.334464D+01 -0.735629D+01 -0.764090D+01 -0.268975D+02  0.826986D+01
      4   0.246926D+01  0.301910D+01  0.341514D+01  0.300934D+00  0.247759D+02
      5   0.722944D+01 -0.498818D+01 -0.136922D+01 -0.361015D+02 -0.308416D+01
      6  -0.346936D+01 -0.510256D+00 -0.215269D+01 -0.292962D+02  0.776676D+01
                56            57            58            59            60 
      1   0.119388D+01 -0.289360D+01  0.384353D+01 -0.386908D+02 -0.715695D+01
      2   0.449965D+01  0.102287D+01 -0.200992D+01  0.587481D+02  0.504385D+01
      3  -0.569353D+01  0.187074D+01 -0.183361D+01 -0.200573D+02  0.211310D+01
      4  -0.420670D+01  0.678481D+01  0.405068D+01 -0.171026D+02 -0.448469D+01
      5   0.126842D+01  0.521960D+01  0.202589D+01 -0.322272D+01 -0.132859D+01
      6  -0.256375D+01  0.262916D+01 -0.311022D+01  0.125696D+02  0.146079D+02
                61            62            63            64            65 
      1  -0.226944D+01 -0.105370D+02 -0.114692D+02  0.513459D-01  0.779807D+00
      2  -0.184183D+01  0.178063D+02  0.322459D+01 -0.375141D+01 -0.108148D+01
      3   0.411127D+01 -0.726936D+01  0.824462D+01  0.370006D+01  0.301675D+00
      4   0.124086D+02 -0.111883D+02 -0.257962D+01  0.103623D+01  0.255505D+01
      5   0.506817D+01 -0.438095D+01 -0.272993D+01  0.125752D+01 -0.928310D+00
      6  -0.544278D+00  0.170422D+02  0.675717D+01 -0.346607D+01 -0.662925D+00
                66            67            68            69            70 
      1   0.202958D+01  0.641768D+00 -0.493768D+01  0.310141D+01  0.235317D+01
      2  -0.665910D+00 -0.944104D+00  0.362884D+01 -0.360973D+01 -0.522161D+00
      3  -0.136367D+01  0.302336D+00  0.130885D+01  0.508327D+00 -0.183101D+01
      4  -0.288891D+01  0.238233D+01 -0.164281D+01  0.137532D+01 -0.408415D+01
      5   0.754200D+01  0.713194D-01  0.123886D+01 -0.134931D+00  0.481019D+01
      6   0.123369D+01 -0.257852D+00 -0.360731D+01  0.791823D+01 -0.239055D+00
                71            72            73            74            75 
      1   0.565844D+01 -0.195384D+02  0.303463D+02 -0.250069D+02  0.496539D+01
      2  -0.532815D+01 -0.152358D+02 -0.168168D+02  0.124103D+02 -0.662793D+01
      3  -0.330296D+00  0.347742D+02 -0.135294D+02  0.125967D+02  0.166254D+01
      4   0.336021D+01 -0.634498D+00 -0.316995D+02  0.735778D+01 -0.560297D+00
      5  -0.134896D+01  0.127459D+02  0.108927D+02 -0.264160D+00  0.983550D+01
      6   0.762345D+01 -0.275697D+02 -0.294818D+01  0.107453D+01 -0.302247D+01
                76            77            78            79            80 
      1  -0.465724D+02 -0.800216D+01  0.131219D+00  0.201766D+02  0.186878D-01
      2   0.262886D+02  0.100055D+02  0.888129D+00 -0.128057D+02  0.406894D-01
      3   0.202839D+02 -0.200330D+01 -0.101935D+01 -0.737097D+01 -0.593772D-01
      4   0.725770D+01 -0.233637D+02  0.589608D+01 -0.389028D+01  0.837288D+01
      5  -0.289155D+01  0.612977D+01 -0.663011D+01  0.173554D+02 -0.421085D+01
      6   0.425457D+00 -0.216489D+01  0.736296D+01 -0.265393D+01  0.547804D+01
                81            82            83            84            85 
      1   0.300767D+01  0.336373D+01 -0.137316D+01 -0.465317D+01 -0.934103D+00
      2  -0.100481D+02 -0.493685D+01  0.616914D+00  0.289269D+01  0.396474D+00
      3   0.704045D+01  0.157312D+01  0.756251D+00  0.176048D+01  0.537628D+00
      4  -0.444327D+01 -0.132028D+01  0.127007D+01  0.238691D+00  0.146978D+01
      5   0.597135D+01 -0.450487D+01 -0.406550D+00  0.787921D+01 -0.607422D+00
      6  -0.107871D+01  0.229912D+00  0.890642D-01  0.281395D+00 -0.106541D+01
                86            87            88            89            90 
      1  -0.427531D+01  0.337598D+00 -0.791121D+01  0.124306D+00 -0.165478D+02
      2   0.316605D+00  0.911350D+00  0.643662D+01  0.609475D+00 -0.186304D+02
      3   0.395871D+01 -0.124895D+01  0.147459D+01 -0.733781D+00  0.351783D+02
      4   0.195918D+01 -0.462548D+01  0.145568D+00 -0.567544D+01  0.135109D+01
      5  -0.472180D+01  0.248044D+01  0.842981D+01  0.163064D+01 -0.363973D+02
      6  -0.181436D+00  0.903963D+01 -0.934634D-01  0.532508D+01  0.153764D+01
                91            92            93            94            95 
      1   0.347550D+00 -0.446298D+00  0.226358D+01 -0.391869D+00 -0.240450D+01
      2  -0.319267D+01  0.895915D+00 -0.657018D+00  0.753564D+00 -0.934998D+00
      3   0.284512D+01 -0.449617D+00 -0.160656D+01 -0.361695D+00  0.333949D+01
      4  -0.112301D+00  0.288098D+01  0.154122D+01  0.351266D+01  0.183710D+00
      5   0.177862D+01 -0.847817D-01  0.671206D+01 -0.433898D+00  0.133539D+01
      6   0.175798D+01 -0.303346D+00 -0.830057D+00  0.169099D+00  0.136705D+01
                96            97            98            99           100 
      1  -0.740014D+00  0.273449D+01 -0.204161D+01 -0.199146D+02  0.292088D+02
      2   0.263522D+01 -0.193484D+01  0.351205D+01 -0.185160D+02 -0.121433D+02
      3  -0.189521D+01 -0.799658D+00 -0.147043D+01  0.384306D+02 -0.170655D+02
      4   0.164263D+01  0.296790D+01  0.323611D+01  0.337878D+00  0.255200D+02
      5  -0.985680D+00  0.570095D+01  0.321158D+00  0.138809D+02 -0.387136D+01
      6   0.722268D+01  0.515368D+00  0.523118D+01  0.158348D+02 -0.282631D+01
               101           102           103           104           105 
      1  -0.535412D+01 -0.166220D+01 -0.128179D+01  0.180944D+02  0.566925D+01
      2   0.149681D+02  0.398605D+01  0.704036D+01 -0.181910D+02 -0.478842D+01
      3  -0.961399D+01 -0.232385D+01 -0.575856D+01  0.965356D-01 -0.880825D+00
      4   0.269873D+02 -0.181934D+01  0.224109D+02 -0.182923D+00 -0.296207D+01
      5  -0.121765D+00  0.123412D+02 -0.548272D+00 -0.503614D+01  0.145260D+01
      6   0.181138D+00  0.423742D+01  0.186495D+00 -0.718346D+01  0.732784D+01
               106           107           108           109           110 
      1  -0.656121D+01  0.649968D+01 -0.215545D+01 -0.144477D+02 -0.121827D+02
      2   0.283330D+01 -0.103961D+02 -0.483600D+01  0.111431D+02  0.488346D+01
      3   0.372791D+01  0.389644D+01  0.699145D+01  0.330454D+01  0.729920D+01
      4  -0.694866D+01 -0.880707D+01  0.512860D+01 -0.148392D+02  0.171270D+01
      5   0.103651D+02  0.325404D+01 -0.237785D+01  0.140596D+02 -0.305302D+01
      6   0.595505D+01  0.739205D+01 -0.367439D+01 -0.824328D+01  0.505973D+01
               111           112           113           114           115 
      1   0.303467D+01 -0.331690D+02  0.145548D+02  0.233757D+01  0.243862D+02
      2  -0.592585D+01  0.251321D+02 -0.363252D+02 -0.847086D+01 -0.105413D+02
      3   0.289118D+01  0.803683D+01  0.217704D+02  0.613330D+01 -0.138448D+02
      4  -0.667628D+01 -0.808700D+01  0.415253D+02  0.676653D+01 -0.210908D+01
      5  -0.306986D+01  0.248712D+01  0.692930D+01 -0.736393D+01 -0.319498D+01
      6  -0.527941D+01  0.453820D+00 -0.391332D+01 -0.104228D+00  0.922393D+00
               116           117           118           119           120 
      1   0.180235D+01  0.193528D+02  0.323225D+01 -0.202976D+01 -0.242626D+01
      2  -0.603031D+01  0.891759D+01 -0.464589D+01  0.120309D+01  0.185255D+01
      3   0.422796D+01 -0.282704D+02  0.141364D+01  0.826672D+00  0.573717D+00
      4   0.969322D+01  0.642507D+01 -0.271870D+01  0.306961D+01  0.930803D+00
      5   0.608980D+01 -0.483213D+02 -0.315473D+01 -0.479615D+00  0.102282D+02
      6  -0.379521D+01  0.220311D+02  0.122292D+01  0.252988D+00 -0.102333D+01
               121           122           123           124           125 
      1  -0.163051D+01 -0.445365D+01 -0.874738D+00 -0.567271D+01 -0.985799D+00
      2   0.534422D+00  0.142234D+01  0.141045D+01  0.741592D+01  0.836341D+00
      3   0.109609D+01  0.303131D+01 -0.535713D+00 -0.174321D+01  0.149458D+00
      4   0.346994D+01  0.582234D+00 -0.219745D+01  0.356522D+01 -0.302838D+01
      5   0.157135D-02 -0.313429D+01  0.822982D+00  0.878672D+01 -0.117660D+01
      6  -0.539614D+00  0.161127D+01  0.839888D+01 -0.148441D+01  0.596051D+01
               126           127           128           129           130 
      1  -0.194113D+02  0.222092D+02  0.285417D+01  0.125770D+00  0.630036D+01
      2  -0.169688D+02 -0.175959D+01  0.107863D+02  0.151673D+01  0.750160D+01
      3   0.363800D+02 -0.204496D+02 -0.136405D+02 -0.164250D+01 -0.138020D+02
      4  -0.167116D+01  0.288894D+02  0.344393D+02 -0.810110D+00  0.324467D+02
      5  -0.257535D+02 -0.281657D+01 -0.930807D+00  0.103615D+02  0.277264D+00
      6   0.121635D+02 -0.526200D+00 -0.112487D+01  0.461775D+01  0.988526D+00
               131           132           133           134           135 
      1  -0.887527D+01 -0.592961D+00 -0.615091D+00 -0.446435D+01  0.544700D+01
      2   0.331284D+02  0.234956D+01  0.106214D+01  0.387621D+01 -0.424406D+01
      3  -0.242531D+02 -0.175660D+01 -0.447045D+00  0.588140D+00 -0.120294D+01
      4   0.346791D+02  0.191268D+01  0.400706D+01  0.616783D+01 -0.216660D+01
      5   0.152658D+01 -0.209746D+01  0.612294D+01 -0.285595D+01  0.236611D+02
      6   0.133781D+01  0.478156D+01  0.114156D+01  0.471944D-01  0.279548D+02
               136           137           138           139           140 
      1   0.420412D+00  0.707347D+00  0.377433D+01 -0.363361D+00 -0.339836D+01
      2  -0.322832D+01  0.591501D-02 -0.167178D+01  0.131789D+01  0.146340D+01
      3   0.280791D+01 -0.713262D+00 -0.210255D+01 -0.954534D+00  0.193496D+01
      4   0.169938D+01  0.483240D+01  0.339795D+01  0.494490D+01  0.170358D+01
      5   0.412089D+01  0.700305D+00  0.889975D+01 -0.309542D+00  0.277211D+01
      6   0.379298D+01 -0.786020D-01  0.582632D+00  0.117710D+00  0.362252D+01
               141           142           143           144           145 
      1  -0.222437D+01  0.323678D+01 -0.439214D+01 -0.202934D+02  0.123214D+02
      2   0.349461D+01 -0.398103D+01  0.234582D+01 -0.167675D+02  0.613701D+01
      3  -0.127025D+01  0.744250D+00  0.204632D+01  0.370609D+02 -0.184584D+02
      4   0.218000D+01  0.646880D+01  0.611276D+01  0.392993D+01 -0.366931D+02
      5  -0.978663D+00  0.957138D+01  0.396386D+01  0.279895D+02  0.315960D+00
      6   0.803852D+01  0.361263D+01  0.919815D+01  0.276419D+02 -0.383704D+01
               146           147           148           149           150 
      1   0.162213D+01  0.229141D+01 -0.137234D+01 -0.168997D+01  0.206734D+00
      2  -0.161179D+02  0.454566D+00 -0.710055D+01  0.116349D+02 -0.172509D+01
      3   0.144957D+02 -0.274598D+01  0.847290D+01 -0.994497D+01  0.151836D+01
      4   0.258637D+02 -0.366144D+01  0.178159D+02 -0.145141D+02  0.167357D+01
      5   0.322662D+00  0.371783D+01  0.529096D+00  0.466159D+00 -0.269466D+01
      6   0.103385D+01 -0.707439D+01  0.102452D+01 -0.101245D+01  0.369815D+01
               151           152           153           154           155 
      1   0.220451D+01  0.792588D+00  0.231559D+00  0.512689D+02  0.173655D+02
      2   0.114324D+01 -0.378050D+01  0.123261D+01 -0.281441D+02 -0.986108D+01
      3  -0.334774D+01  0.298791D+01 -0.146417D+01 -0.231249D+02 -0.750447D+01
      4  -0.791803D+01  0.527755D+01 -0.436582D+01  0.135818D+02  0.145299D+02
      5   0.341906D+01 -0.192222D+01  0.130977D+01  0.108259D+01  0.110815D+00
      6  -0.415453D+01  0.404809D+01 -0.890797D+00  0.138540D+01  0.133030D+01
               156           157           158           159           160 
      1  -0.122410D+01  0.360477D+02  0.136484D+02  0.468321D-02 -0.600891D+01
      2  -0.276958D+00 -0.206184D+02 -0.613070D+01 -0.610656D+00  0.350045D+01
      3   0.150106D+01 -0.154292D+02 -0.751767D+01  0.605973D+00  0.250846D+01
      4  -0.299150D+00  0.134872D+02  0.163172D+02 -0.148938D+01 -0.161955D+01
      5   0.809055D+01  0.110038D+01 -0.148043D+01  0.554757D+01  0.621278D+01
      6   0.131245D+00  0.139463D+01  0.100226D+01 -0.292191D+00  0.367220D+00
               161           162           163           164           165 
      1  -0.176447D+01  0.427853D+01 -0.163255D+01  0.571933D+01  0.102436D+01
      2   0.870793D+00 -0.290788D+01  0.311937D+01 -0.705405D+01 -0.101540D+01
      3   0.893677D+00 -0.137065D+01 -0.148683D+01  0.133472D+01 -0.896830D-02
      4  -0.237413D+01  0.149504D+01 -0.182027D+01 -0.416991D+00  0.552107D+00
      5   0.200826D+01  0.242985D+00  0.284325D+00 -0.486669D+00 -0.579497D+00
      6   0.109888D+01 -0.748406D+00  0.122432D+01 -0.798431D+00  0.739021D-01
               166           167           168           169           170 
      1   0.660355D+01 -0.293238D+02 -0.217875D+01  0.162041D+01 -0.554537D+01
      2  -0.217325D+01  0.484228D+02  0.379448D+01 -0.102918D+01  0.753060D+01
      3  -0.443030D+01 -0.190990D+02 -0.161573D+01 -0.591235D+00 -0.198524D+01
      4   0.825685D+01  0.268064D+02  0.166898D+01  0.112085D+01  0.411594D+01
      5  -0.272676D+00  0.298139D+01  0.418201D+01  0.915395D+00  0.241985D+01
      6  -0.243066D+00  0.377379D+01  0.635907D+01  0.294370D+00  0.568779D+01
               171           172           173           174           175 
      1  -0.267567D+01  0.840851D+02  0.318925D+01 -0.586020D+01  0.376300D+01
      2   0.360927D+01 -0.490934D+02 -0.333161D+00  0.788502D+01 -0.411352D+01
      3  -0.933598D+00 -0.349917D+02 -0.285609D+01 -0.202482D+01  0.350512D+00
      4   0.212198D+01 -0.419441D+01  0.149013D+02  0.305521D+01  0.233786D+02
      5   0.696176D-01 -0.130927D+02  0.132219D+01  0.163114D+02 -0.393397D-01
      6   0.155853D+01  0.362121D+01 -0.223387D+01  0.228421D+01 -0.125732D+01
               176           177           178           179           180 
      1   0.126428D+02  0.339099D+01 -0.238287D+02  0.808140D-02  0.671678D+01
      2  -0.601247D+00  0.119734D+01  0.146296D+02 -0.665377D+00 -0.139446D+02
      3  -0.120416D+02 -0.458833D+01  0.919908D+01  0.657296D+00  0.722781D+01
      4  -0.335198D+02 -0.425498D+01  0.140377D+01 -0.557419D+01 -0.155813D+01
      5  -0.480292D+01 -0.375449D+01  0.226355D+02  0.764874D+00 -0.786569D+01
      6   0.124707D+01  0.962403D+01 -0.243371D+01  0.523160D+01 -0.103659D+01
               181           182           183           184           185 
      1   0.341866D+01 -0.646251D+01 -0.314903D+01 -0.662441D+01 -0.214274D+02
      2   0.311126D+01  0.135198D+01  0.102206D+01 -0.431779D+01  0.505572D+02
      3  -0.652993D+01  0.511053D+01  0.212697D+01  0.109422D+02 -0.291297D+02
      4  -0.891926D+01  0.117164D+02  0.174525D+01  0.212839D+02 -0.560369D+02
      5  -0.277288D+01  0.498653D+00  0.307673D+01  0.291059D+00 -0.381525D+01
      6   0.188516D+01 -0.567646D+00 -0.117981D+01  0.143755D+00  0.211707D+01
               186           187           188           189           190 
      1  -0.200680D+01 -0.568718D+01 -0.380544D+01 -0.400304D+01  0.127056D+01
      2   0.470352D+01  0.130160D+01  0.789221D+01  0.314621D+01 -0.450554D+01
      3  -0.269672D+01  0.438558D+01 -0.408677D+01  0.856838D+00  0.323498D+01
      4  -0.432568D+01  0.492776D+01 -0.100207D+02 -0.684586D+01  0.103452D+01
      5  -0.593691D+01  0.371109D+01 -0.687302D+01  0.137805D+01  0.623289D+01
      6   0.753054D+01 -0.196747D+01  0.807009D+01  0.181832D+01 -0.207842D+01
               191           192           193           194           195 
      1   0.147161D+01  0.803740D+01  0.575358D+01 -0.492140D+01  0.845000D+00
      2  -0.137673D+01 -0.398680D+01 -0.441832D+01  0.407131D+01 -0.246085D+01
      3  -0.948794D-01 -0.405060D+01 -0.133526D+01  0.850087D+00  0.161585D+01
      4   0.178961D+01 -0.233233D+01  0.128747D+01 -0.518165D+01  0.460171D+01
      5  -0.579220D+00  0.706847D+01 -0.250617D-01  0.494659D+01  0.370806D+01
      6  -0.798156D+00  0.787051D+00  0.299957D+00 -0.163313D+01  0.462196D+01
               196           197           198           199           200 
      1   0.106049D+02  0.407968D+01 -0.229929D+02  0.855180D+00  0.169109D+01
      2  -0.780933D+01 -0.243585D+01 -0.158639D+02 -0.877547D+00 -0.510422D+00
      3  -0.279559D+01 -0.164383D+01  0.388568D+02  0.223664D-01 -0.118066D+01
      4  -0.481995D+01  0.737872D+01 -0.706458D+01  0.218364D+01  0.133428D+01
      5   0.113373D+02 -0.700630D+01  0.530368D+02 -0.132373D+01 -0.273629D+00
      6  -0.267815D+01  0.939361D+01 -0.239805D+02 -0.207401D+01  0.964767D+00
               201           202           203           204           205 
      1  -0.304673D+01  0.177656D+01 -0.471127D+01  0.250587D+01 -0.559873D+01
      2   0.137283D+01  0.896388D-01  0.703571D+01 -0.413883D+01  0.162382D+01
      3   0.167390D+01 -0.186620D+01 -0.232444D+01  0.163296D+01  0.397491D+01
      4  -0.184737D+01  0.333059D+01  0.574697D+01 -0.388297D+01 -0.108107D+02
      5  -0.666435D-01 -0.139018D+01 -0.332781D+01  0.603072D+01  0.646629D+01
      6  -0.210477D+01 -0.137927D+01 -0.548522D+01  0.846297D+01  0.551481D+01
               206           207           208           209           210 
      1   0.821572D+01 -0.112777D+02 -0.305822D+00  0.687510D+01  0.105502D+01
      2  -0.106956D+02  0.276577D+01  0.187244D+01 -0.268264D+01 -0.229183D+00
      3   0.247987D+01  0.851194D+01 -0.156662D+01 -0.419246D+01 -0.825841D+00
      4  -0.134792D+02  0.110820D+02  0.679440D+01 -0.677003D+00 -0.403737D+00
      5   0.105890D+02 -0.269133D+02  0.403470D+00 -0.848129D+00  0.130332D+01
      6   0.153859D+02 -0.327529D+02 -0.126903D+00 -0.341207D+00  0.182597D+01
               211           212           213           214           215 
      1   0.296969D+02 -0.281474D+01 -0.212994D+01  0.154557D+01 -0.872807D+00
      2  -0.173953D+02  0.194798D+01  0.209447D+01 -0.928925D+00  0.491313D+00
      3  -0.123015D+02  0.866760D+00  0.354697D-01 -0.616649D+00  0.381495D+00
      4  -0.345690D+01  0.411782D+02 -0.176770D+00 -0.857233D+00  0.144769D+01
      5  -0.263965D+01  0.432185D+00  0.101214D+02  0.297645D+01  0.203092D+01
      6   0.868770D+00 -0.124953D+01 -0.237658D+01 -0.939412D-01  0.194286D+01
               216 
      1   0.124367D+01
      2  -0.100248D+01
      3  -0.241184D+00
      4   0.134473D+01
      5  -0.206634D+01
      6   0.224390D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:08:55 2022, MaxMem=  5368709120 cpu:           24237.5 elap:            3036.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17926 -19.17885 -19.17377 -19.17006 -19.16941
 Alpha  occ. eigenvalues --  -19.15544 -10.29951 -10.25217 -10.25085 -10.24909
 Alpha  occ. eigenvalues --  -10.24768 -10.23765  -1.10272  -1.06556  -1.05465
 Alpha  occ. eigenvalues --   -1.03728  -1.03583  -1.03004  -0.80583  -0.78567
 Alpha  occ. eigenvalues --   -0.70041  -0.66692  -0.63960  -0.61029  -0.56978
 Alpha  occ. eigenvalues --   -0.55872  -0.53579  -0.52421  -0.51306  -0.50264
 Alpha  occ. eigenvalues --   -0.48443  -0.46633  -0.45844  -0.43701  -0.42610
 Alpha  occ. eigenvalues --   -0.41062  -0.39766  -0.39453  -0.38467  -0.37735
 Alpha  occ. eigenvalues --   -0.35947  -0.33431  -0.33153  -0.31113  -0.30224
 Alpha  occ. eigenvalues --   -0.29686  -0.29029  -0.27576
 Alpha virt. eigenvalues --   -0.01327  -0.00692  -0.00017   0.00228   0.01851
 Alpha virt. eigenvalues --    0.02156   0.02753   0.03055   0.03532   0.04634
 Alpha virt. eigenvalues --    0.05656   0.05918   0.06421   0.07401   0.07555
 Alpha virt. eigenvalues --    0.08256   0.08274   0.08636   0.09247   0.09448
 Alpha virt. eigenvalues --    0.10145   0.10688   0.10765   0.11080   0.11669
 Alpha virt. eigenvalues --    0.11818   0.12082   0.12419   0.12929   0.13246
 Alpha virt. eigenvalues --    0.13450   0.13712   0.13940   0.14638   0.15847
 Alpha virt. eigenvalues --    0.16036   0.16195   0.16987   0.17233   0.17688
 Alpha virt. eigenvalues --    0.18601   0.19111   0.19416   0.19942   0.20891
 Alpha virt. eigenvalues --    0.21465   0.21883   0.22482   0.22611   0.22938
 Alpha virt. eigenvalues --    0.23388   0.23491   0.23624   0.24539   0.24632
 Alpha virt. eigenvalues --    0.25450   0.25885   0.26043   0.26539   0.26748
 Alpha virt. eigenvalues --    0.27089   0.27498   0.27851   0.28250   0.28650
 Alpha virt. eigenvalues --    0.29070   0.29612   0.29942   0.30798   0.31364
 Alpha virt. eigenvalues --    0.31863   0.32293   0.32908   0.33326   0.34034
 Alpha virt. eigenvalues --    0.35002   0.35065   0.35801   0.36098   0.36805
 Alpha virt. eigenvalues --    0.37127   0.37604   0.38478   0.38697   0.39059
 Alpha virt. eigenvalues --    0.39847   0.40891   0.41143   0.41640   0.42212
 Alpha virt. eigenvalues --    0.42701   0.42936   0.43401   0.44958   0.45359
 Alpha virt. eigenvalues --    0.47459   0.47552   0.48323   0.49350   0.50412
 Alpha virt. eigenvalues --    0.51013   0.51380   0.52032   0.52540   0.52875
 Alpha virt. eigenvalues --    0.53722   0.54131   0.55375   0.56444   0.57053
 Alpha virt. eigenvalues --    0.57491   0.58678   0.59136   0.59380   0.60770
 Alpha virt. eigenvalues --    0.61001   0.61725   0.63120   0.63509   0.63751
 Alpha virt. eigenvalues --    0.64031   0.64538   0.66054   0.66658   0.67610
 Alpha virt. eigenvalues --    0.68270   0.68812   0.69570   0.69928   0.70521
 Alpha virt. eigenvalues --    0.70997   0.71530   0.72401   0.73432   0.73825
 Alpha virt. eigenvalues --    0.75342   0.75923   0.76365   0.77219   0.78340
 Alpha virt. eigenvalues --    0.78847   0.79235   0.79982   0.80629   0.81725
 Alpha virt. eigenvalues --    0.82393   0.83091   0.85188   0.86237   0.86827
 Alpha virt. eigenvalues --    0.87143   0.88735   0.90008   0.90481   0.91477
 Alpha virt. eigenvalues --    0.92357   0.92778   0.95074   0.95564   0.96632
 Alpha virt. eigenvalues --    0.97606   0.98959   1.00837   1.02726   1.03995
 Alpha virt. eigenvalues --    1.04400   1.04855   1.05872   1.07611   1.08137
 Alpha virt. eigenvalues --    1.08837   1.10427   1.10574   1.11614   1.12993
 Alpha virt. eigenvalues --    1.13345   1.13735   1.14773   1.16787   1.18489
 Alpha virt. eigenvalues --    1.19443   1.20604   1.21407   1.21504   1.22913
 Alpha virt. eigenvalues --    1.24301   1.25133   1.28073   1.29511   1.30044
 Alpha virt. eigenvalues --    1.32352   1.33399   1.34803   1.36221   1.39191
 Alpha virt. eigenvalues --    1.40411   1.41901   1.42757   1.43229   1.44558
 Alpha virt. eigenvalues --    1.46163   1.48188   1.48385   1.50415   1.51482
 Alpha virt. eigenvalues --    1.52499   1.54618   1.56642   1.57299   1.58556
 Alpha virt. eigenvalues --    1.59318   1.60250   1.62746   1.62934   1.64213
 Alpha virt. eigenvalues --    1.65205   1.66582   1.67757   1.69734   1.70670
 Alpha virt. eigenvalues --    1.73111   1.74796   1.75201   1.77896   1.78162
 Alpha virt. eigenvalues --    1.79559   1.81397   1.82646   1.83742   1.85155
 Alpha virt. eigenvalues --    1.85350   1.87121   1.88770   1.90198   1.90556
 Alpha virt. eigenvalues --    1.91669   1.93201   1.94152   1.96062   1.97551
 Alpha virt. eigenvalues --    1.98293   1.98521   2.00768   2.01801   2.02291
 Alpha virt. eigenvalues --    2.04154   2.05577   2.06113   2.07918   2.09222
 Alpha virt. eigenvalues --    2.10598   2.12363   2.12928   2.16055   2.18492
 Alpha virt. eigenvalues --    2.18927   2.19478   2.20983   2.23157   2.24358
 Alpha virt. eigenvalues --    2.25134   2.26148   2.28197   2.28719   2.30965
 Alpha virt. eigenvalues --    2.32012   2.33502   2.34904   2.38923   2.39468
 Alpha virt. eigenvalues --    2.40773   2.42566   2.45160   2.46976   2.47304
 Alpha virt. eigenvalues --    2.50701   2.52495   2.53468   2.54640   2.56131
 Alpha virt. eigenvalues --    2.59031   2.60657   2.61326   2.64301   2.66992
 Alpha virt. eigenvalues --    2.67623   2.69714   2.71504   2.72828   2.73922
 Alpha virt. eigenvalues --    2.77139   2.81107   2.82354   2.86168   2.86449
 Alpha virt. eigenvalues --    2.97733   3.03412   3.08242   3.11461   3.15488
 Alpha virt. eigenvalues --    3.20118   3.24481   3.32284   3.38712   3.40175
 Alpha virt. eigenvalues --    3.41221   3.42469   3.43253   3.44740   3.45531
 Alpha virt. eigenvalues --    3.46281   3.47649   3.48284   3.49015   3.49647
 Alpha virt. eigenvalues --    3.50357   3.51156   3.52007   3.53910   3.56236
 Alpha virt. eigenvalues --    3.57683   3.59618   3.63577   3.68444   3.68911
 Alpha virt. eigenvalues --    3.74161   3.79015   3.84179   3.85600   3.93688
 Alpha virt. eigenvalues --    3.98746   3.99827   4.03873   4.07157   4.11579
 Alpha virt. eigenvalues --    4.31759
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.846038  -1.688801  -1.569387   0.108325  -0.098230   0.317435
     2  C   -1.688801   9.409893  -1.344953   0.584449   0.212792  -1.527106
     3  C   -1.569387  -1.344953  11.723582  -3.735428   0.336030   0.584510
     4  C    0.108325   0.584449  -3.735428  10.937432  -0.940879  -0.854999
     5  O   -0.098230   0.212792   0.336030  -0.940879   9.252279   0.034459
     6  C    0.317435  -1.527106   0.584510  -0.854999   0.034459   6.825407
     7  O   -0.788802   0.286413   0.168778   0.104096  -0.000523  -0.040317
     8  H   -1.183071   0.559531  -0.260045   0.137494   0.002261  -0.292270
     9  O    0.207840  -0.795019   0.157184  -0.052203  -0.014505   0.237379
    10  H   -0.398208  -0.773368   0.120042  -0.073368  -0.014785   0.285433
    11  H    0.138625   0.013787  -1.051222   0.192271  -0.024438  -0.086866
    12  O    0.265520   0.038817  -0.847669   0.270209   0.001584  -0.009153
    13  C   -0.427672   0.174671  -0.107137  -0.621736   0.185853  -0.159331
    14  H   -0.025762   0.172952   0.582558  -1.531724   0.063009   0.018190
    15  O   -0.041732   0.085009  -0.011070   0.005405  -0.074208   0.034838
    16  H   -0.020009  -0.219072   0.197152   0.065072  -0.053439  -0.473998
    17  H    0.188631  -0.123576  -0.023317  -0.004238  -0.002683   0.019318
    18  H   -0.029412   0.152342  -0.025072   0.014892   0.000203  -0.106257
    19  H   -0.074170  -0.015482   0.169536  -0.077009   0.001327   0.002669
    20  O    0.015418   0.014199   0.029376  -0.120969   0.058982  -0.026300
    21  H   -0.006863  -0.043317   0.007921   0.758577  -0.158490   0.021682
    22  H    0.052375   0.040608  -0.130191  -0.074867  -0.020963  -0.034923
    23  H    0.036150  -0.093284   0.017236   0.018763  -0.001837  -0.102881
    24  H   -0.021363   0.001607  -0.006623   0.003871  -0.000971   0.003290
               7          8          9         10         11         12
     1  C   -0.788802  -1.183071   0.207840  -0.398208   0.138625   0.265520
     2  C    0.286413   0.559531  -0.795019  -0.773368   0.013787   0.038817
     3  C    0.168778  -0.260045   0.157184   0.120042  -1.051222  -0.847669
     4  C    0.104096   0.137494  -0.052203  -0.073368   0.192271   0.270209
     5  O   -0.000523   0.002261  -0.014505  -0.014785  -0.024438   0.001584
     6  C   -0.040317  -0.292270   0.237379   0.285433  -0.086866  -0.009153
     7  O    8.747390  -0.036377  -0.017833   0.037732  -0.012120  -0.026468
     8  H   -0.036377   2.385073  -0.046252   0.098164   0.097635   0.037570
     9  O   -0.017833  -0.046252   8.730724  -0.056091  -0.003305  -0.006611
    10  H    0.037732   0.098164  -0.056091   2.174242   0.039559   0.008847
    11  H   -0.012120   0.097635  -0.003305   0.039559   2.304469  -0.012164
    12  O   -0.026468   0.037570  -0.006611   0.008847  -0.012164   8.671092
    13  C   -0.000910   0.104285  -0.001001   0.056709  -0.087388   0.019176
    14  H   -0.014045  -0.001374  -0.019007  -0.002818   0.092333  -0.040816
    15  O    0.000208  -0.000260   0.001543  -0.019700   0.002836   0.000533
    16  H    0.000270  -0.006834   0.034727   0.107087  -0.002095  -0.011140
    17  H    0.255051  -0.100934   0.016304  -0.018698   0.001731   0.005708
    18  H    0.005050   0.009673   0.263763  -0.064897  -0.002267   0.000324
    19  H    0.018601  -0.009570   0.000530  -0.000952  -0.060955   0.284319
    20  O    0.000439  -0.001612  -0.000114   0.001856  -0.010663   0.001196
    21  H    0.000970   0.002857   0.001222  -0.005417   0.026923  -0.007735
    22  H   -0.003804   0.004089  -0.001570   0.008064  -0.037090   0.017665
    23  H   -0.001539  -0.001639   0.009417   0.005676  -0.000622  -0.000587
    24  H   -0.000303   0.002140  -0.000019   0.000503   0.001230   0.021860
              13         14         15         16         17         18
     1  C   -0.427672  -0.025762  -0.041732  -0.020009   0.188631  -0.029412
     2  C    0.174671   0.172952   0.085009  -0.219072  -0.123576   0.152342
     3  C   -0.107137   0.582558  -0.011070   0.197152  -0.023317  -0.025072
     4  C   -0.621736  -1.531724   0.005405   0.065072  -0.004238   0.014892
     5  O    0.185853   0.063009  -0.074208  -0.053439  -0.002683   0.000203
     6  C   -0.159331   0.018190   0.034838  -0.473998   0.019318  -0.106257
     7  O   -0.000910  -0.014045   0.000208   0.000270   0.255051   0.005050
     8  H    0.104285  -0.001374  -0.000260  -0.006834  -0.100934   0.009673
     9  O   -0.001001  -0.019007   0.001543   0.034727   0.016304   0.263763
    10  H    0.056709  -0.002818  -0.019700   0.107087  -0.018698  -0.064897
    11  H   -0.087388   0.092333   0.002836  -0.002095   0.001731  -0.002267
    12  O    0.019176  -0.040816   0.000533  -0.011140   0.005708   0.000324
    13  C    6.046766  -0.269946   0.003165   0.034958  -0.006873   0.000603
    14  H   -0.269946   2.742195  -0.002348  -0.067389   0.000002   0.002836
    15  O    0.003165  -0.002348   8.435831  -0.185376  -0.000164   0.022076
    16  H    0.034958  -0.067389  -0.185376   2.064627  -0.001949  -0.022160
    17  H   -0.006873   0.000002  -0.000164  -0.001949   0.662116  -0.002668
    18  H    0.000603   0.002836   0.022076  -0.022160  -0.002668   0.651458
    19  H    0.003634   0.001262  -0.000235   0.000831  -0.002704  -0.000175
    20  O   -0.006402  -0.000195   0.000834   0.000524   0.000086  -0.000025
    21  H   -0.463733  -0.166202  -0.000865   0.000799  -0.000091  -0.000196
    22  H    0.143920   0.130431  -0.002113  -0.000248   0.000300   0.000336
    23  H   -0.004506  -0.001392   0.306844   0.043689   0.000144  -0.000328
    24  H   -0.019875   0.013623   0.000207  -0.001068  -0.000130  -0.000024
              19         20         21         22         23         24
     1  C   -0.074170   0.015418  -0.006863   0.052375   0.036150  -0.021363
     2  C   -0.015482   0.014199  -0.043317   0.040608  -0.093284   0.001607
     3  C    0.169536   0.029376   0.007921  -0.130191   0.017236  -0.006623
     4  C   -0.077009  -0.120969   0.758577  -0.074867   0.018763   0.003871
     5  O    0.001327   0.058982  -0.158490  -0.020963  -0.001837  -0.000971
     6  C    0.002669  -0.026300   0.021682  -0.034923  -0.102881   0.003290
     7  O    0.018601   0.000439   0.000970  -0.003804  -0.001539  -0.000303
     8  H   -0.009570  -0.001612   0.002857   0.004089  -0.001639   0.002140
     9  O    0.000530  -0.000114   0.001222  -0.001570   0.009417  -0.000019
    10  H   -0.000952   0.001856  -0.005417   0.008064   0.005676   0.000503
    11  H   -0.060955  -0.010663   0.026923  -0.037090  -0.000622   0.001230
    12  O    0.284319   0.001196  -0.007735   0.017665  -0.000587   0.021860
    13  C    0.003634  -0.006402  -0.463733   0.143920  -0.004506  -0.019875
    14  H    0.001262  -0.000195  -0.166202   0.130431  -0.001392   0.013623
    15  O   -0.000235   0.000834  -0.000865  -0.002113   0.306844   0.000207
    16  H    0.000831   0.000524   0.000799  -0.000248   0.043689  -0.001068
    17  H   -0.002704   0.000086  -0.000091   0.000300   0.000144  -0.000130
    18  H   -0.000175  -0.000025  -0.000196   0.000336  -0.000328  -0.000024
    19  H    0.619749  -0.000676   0.001538  -0.002554   0.000283  -0.001585
    20  O   -0.000676   8.545835  -0.198173   0.001409  -0.000497   0.240566
    21  H    0.001538  -0.198173   2.149129  -0.514522   0.002475   0.021300
    22  H   -0.002554   0.001409  -0.514522   1.841968   0.000207  -0.050982
    23  H    0.000283  -0.000497   0.002475   0.000207   0.676963  -0.000107
    24  H   -0.001585   0.240566   0.021300  -0.050982  -0.000107   0.650612
 Mulliken charges:
               1
     1  C    1.197124
     2  C    0.876904
     3  C    1.018211
     4  C    0.886563
     5  O   -0.742828
     6  C    1.329791
     7  O   -0.681956
     8  H   -0.500535
     9  O   -0.647103
    10  H   -0.515611
    11  H   -0.520204
    12  O   -0.682076
    13  C    1.402772
    14  H   -0.676371
    15  O   -0.561260
    16  H   -0.484960
    17  H    0.138634
    18  H    0.129925
    19  H    0.141790
    20  O   -0.545094
    21  H   -0.429788
    22  H   -0.367545
    23  H    0.091373
    24  H    0.142243
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.696589
     2  C    0.361294
     3  C    0.498007
     4  C    0.210193
     5  O   -0.742828
     6  C    0.844831
     7  O   -0.543322
     9  O   -0.517178
    12  O   -0.540286
    13  C    0.605439
    15  O   -0.469887
    20  O   -0.402851
 Electronic spatial extent (au):  <R**2>=           2208.0056
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.4246    Y=              1.0760    Z=              1.7177  Tot=              3.9795
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.8175   YY=            -73.7807   ZZ=            -69.7601
   XY=              3.0218   XZ=             -0.0475   YZ=             -3.3988
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3647   YY=              1.6721   ZZ=              5.6927
   XY=              3.0218   XZ=             -0.0475   YZ=             -3.3988
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -78.8401  YYY=             25.2104  ZZZ=              3.1520  XYY=              5.6891
  XXY=             13.7980  XXZ=             21.8517  XZZ=             -6.3585  YZZ=             -7.4505
  YYZ=              3.9622  XYZ=              7.1527
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1817.4406 YYYY=           -885.6717 ZZZZ=           -145.4904 XXXY=             79.7502
 XXXZ=              6.1806 YYYX=            -19.0678 YYYZ=            -33.1851 ZZZX=             -4.4973
 ZZZY=             -6.8021 XXYY=           -404.4807 XXZZ=           -300.9114 YYZZ=           -170.4297
 XXYZ=            -18.2197 YYXZ=            -12.8579 ZZXY=             17.8777
 N-N= 8.277809961725D+02 E-N=-3.267712599142D+03  KE= 6.834223014748D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:08:55 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36584779D+00 4.61540844D-01 6.84923534D-01
 Polarizability= 1.29825881D+02 2.09817097D+00 1.20314303D+02
                -6.11756485D-01-1.98079890D+00 1.08093461D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2095    0.2111        0.7173    0.7142
 2     -0.2095   -0.2111        0.9471    0.9480       -5.8046   -5.8046
 3     -0.7173   -0.7142       14.0767   14.0729       -0.9472   -0.9480
 4     -0.9471   -0.9480       -0.0000    0.0000       -0.7150   -0.7142
 5     -8.2721   -8.2684        0.7150    0.7142        0.2101    0.2111
 6      0.9472    0.9480       -0.2101   -0.2111       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6333   -0.6333        2.1427    2.1427
 2     -2.8439   -2.8439        0.0000    0.0000        2.1427    2.1427
 3     -2.8439   -2.8439       -0.6333   -0.6333       -0.0000    0.0000
 4     -0.6333   -0.6333        2.8439    2.8439      -17.4137  -17.4137
 5     -2.1427   -2.1427       42.2187   42.2187       -2.8439   -2.8439
 6    -24.8051  -24.8051        2.1427    2.1427        0.6333    0.6333
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0799    0.0000       -1.0193   -0.8443       -2.7742   -2.8570
 2      0.7724    0.8443       -3.7050   -3.7918       22.9819   23.2182
 3      2.6732    2.8570      -56.1201  -56.2916        3.5483    3.7918
 4      3.7271    3.7918       -0.1793    0.0000        2.9520    2.8570
 5     32.9662   33.0734       -2.8818   -2.8570       -0.6457   -0.8443
 6     -3.8685   -3.7918        0.6877    0.8443       -0.2006    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1273    0.0000       -1.7530   -1.7822        9.5941    9.6371
 2      1.8002    1.7822       -5.9054   -5.8886       -1.6384   -1.6705
 3     -9.8324   -9.6371        6.4707    6.6567        6.2743    5.8886
 4      5.9983    5.8886        0.0009    0.0000       -9.6009   -9.6371
 5     -4.9458   -4.9862        9.9385    9.6371       -1.9999   -1.7822
 6     -5.8475   -5.8886        1.7307    1.7822       -0.0492    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.4253  -20.6587        9.9546    9.9200      -25.9888  -25.9602
 2    -18.6911  -18.8218        9.7433    9.6814      -25.9801  -25.9602
 3    -18.5744  -18.8218       10.0186    9.9200      -35.0573  -35.0104
 4      0.3176    0.2386       -1.6278   -1.8369        0.4172    0.2290
 5     -9.0578   -9.0502       10.0242    9.9935        1.9639    1.8369
 6     -9.6941  -10.2225        9.2075    9.0502        0.3080   -0.2386
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.9001  -16.7845  -13.3108   -0.0011   -0.0011   -0.0010
 Low frequencies ---   60.4758   95.4928  108.5466
 Diagonal vibrational polarizability:
      135.4909721      89.1175640     211.2102968
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.3022                95.4512               108.5178
 Red. masses --      6.9553                 4.1699                 6.4573
 Frc consts  --      0.0149                 0.0224                 0.0448
 IR Inten    --      0.9654                 2.6807                 4.1701
 RamAct Fr= 1--      0.0469                 0.0696                 0.0284
  Dep-P Fr= 1--      0.7469                 0.7456                 0.5933
  Dep-U Fr= 1--      0.8551                 0.8543                 0.7447
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0067                 0.0099                 0.0035
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0160                 0.1361                -0.0030
 Delta2 Fr= 1--      0.0307                 0.0762                -0.0130
 Raman1 Fr= 1--       0.188                  0.278                  0.114
 ROA1   Fr= 1--       2.520                 15.502                 -0.703
 CID1   Fr= 1--      13.424                 55.717                 -6.184
 Raman2 Fr= 1--       0.080                  0.119                  0.042
 ROA2   Fr= 1--       0.138                  2.656                  0.032
 CID2   Fr= 1--       1.726                 22.351                  0.750
 Raman3 Fr= 1--       0.161                  0.238                  0.085
 ROA3   Fr= 1--       2.520                 15.502                 -0.703
 CID3   Fr= 1--      15.699                 65.222                 -8.303
 RC180  Fr= 1--       0.710                  0.709                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.05    -0.00   0.03   0.08
     2   6     0.03  -0.01   0.09     0.01   0.01  -0.02    -0.04   0.00  -0.08
     3   6     0.03   0.00  -0.14    -0.01  -0.06   0.02     0.04  -0.01  -0.07
     4   6     0.02  -0.02  -0.10    -0.01  -0.01  -0.11    -0.02  -0.03  -0.05
     5   8    -0.00  -0.02  -0.15     0.00  -0.04  -0.14    -0.01   0.02   0.07
     6   6    -0.02   0.03  -0.06    -0.05  -0.03   0.02    -0.01  -0.03   0.04
     7   8     0.04  -0.00  -0.01     0.04   0.00  -0.12     0.04  -0.07   0.35
     8   1    -0.12  -0.02  -0.02     0.07  -0.08  -0.06    -0.05   0.23   0.10
     9   8    -0.05   0.02   0.30     0.01   0.03  -0.02     0.06   0.01  -0.31
    10   1     0.20  -0.08   0.09     0.02   0.05  -0.02    -0.21   0.04  -0.09
    11   1     0.13   0.07  -0.14    -0.09  -0.18   0.01     0.17   0.03  -0.07
    12   8    -0.02  -0.01  -0.29     0.01   0.00   0.20    -0.02  -0.02  -0.24
    13   6    -0.05  -0.05   0.06    -0.01  -0.08  -0.17    -0.01  -0.05  -0.08
    14   1     0.10  -0.03  -0.09    -0.04   0.08  -0.11    -0.09  -0.08  -0.05
    15   8    -0.01   0.00  -0.10    -0.01   0.01   0.22    -0.01   0.00   0.15
    16   1    -0.08   0.13  -0.07    -0.21  -0.10   0.02    -0.01  -0.14   0.04
    17   1    -0.02  -0.04   0.13     0.04  -0.01  -0.12     0.10   0.08   0.30
    18   1    -0.01  -0.02   0.30    -0.04   0.10   0.11    -0.03   0.09  -0.26
    19   1     0.04  -0.01  -0.22    -0.07  -0.02   0.19     0.07  -0.02  -0.12
    20   8     0.05   0.07   0.37    -0.00   0.16   0.11    -0.01   0.12   0.11
    21   1     0.03  -0.01  -0.07     0.07  -0.00  -0.45     0.06  -0.00  -0.25
    22   1    -0.27  -0.20   0.07    -0.11  -0.37  -0.14    -0.10  -0.23  -0.06
    23   1     0.08  -0.12  -0.14     0.16   0.07   0.21    -0.04   0.15   0.17
    24   1    -0.07   0.06   0.32    -0.11   0.13   0.28    -0.16   0.10   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    148.3940               181.3316               202.8000
 Red. masses --      3.4322                 1.6694                 3.0775
 Frc consts  --      0.0445                 0.0323                 0.0746
 IR Inten    --     21.6683               132.9299                 4.8073
 RamAct Fr= 1--      0.1834                 0.5523                 0.2305
  Dep-P Fr= 1--      0.5083                 0.7347                 0.6720
  Dep-U Fr= 1--      0.6740                 0.8471                 0.8038
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0206                 0.0780                 0.0309
 AlphaG Fr= 1--     -0.0016                 0.0011                -0.0016
 Gamma2 Fr= 1--      0.0458                -0.0169                -0.0106
 Delta2 Fr= 1--     -0.0385                 0.0491                 0.0220
 Raman1 Fr= 1--       0.733                  2.209                  0.922
 ROA1   Fr= 1--       3.168                 -0.052                 -0.314
 CID1   Fr= 1--       4.320                 -0.023                 -0.340
 Raman2 Fr= 1--       0.247                  0.936                  0.371
 ROA2   Fr= 1--       1.408                 -0.799                 -0.430
 CID2   Fr= 1--       5.695                 -0.854                 -1.160
 Raman3 Fr= 1--       0.494                  1.871                  0.741
 ROA3   Fr= 1--       3.168                 -0.052                 -0.314
 CID3   Fr= 1--       6.409                 -0.028                 -0.423
 RC180  Fr= 1--       0.348                  0.694                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.02     0.02  -0.02  -0.01     0.01   0.00  -0.05
     2   6    -0.00  -0.00   0.05     0.02  -0.01  -0.01     0.02   0.00  -0.04
     3   6     0.02  -0.05   0.03     0.02   0.00   0.01    -0.03  -0.07  -0.05
     4   6    -0.02  -0.08   0.06    -0.01  -0.02   0.03     0.01  -0.06  -0.01
     5   8    -0.03  -0.02   0.17    -0.01  -0.00   0.06    -0.01  -0.10  -0.12
     6   6     0.02   0.00   0.04    -0.00  -0.02  -0.00    -0.03  -0.02  -0.05
     7   8     0.13   0.01  -0.06    -0.10  -0.03  -0.05     0.09  -0.02   0.06
     8   1     0.04  -0.11   0.02     0.04  -0.05  -0.01    -0.01   0.07  -0.04
     9   8     0.00  -0.01   0.04     0.05   0.10  -0.00    -0.00  -0.00   0.02
    10   1    -0.01   0.00   0.05     0.02  -0.02  -0.01     0.07  -0.00  -0.04
    11   1     0.04  -0.02   0.03     0.03   0.03   0.01    -0.08  -0.08  -0.05
    12   8    -0.01  -0.05  -0.01     0.05  -0.04  -0.03     0.03  -0.11   0.02
    13   6     0.04  -0.03  -0.06     0.01  -0.01  -0.01     0.03   0.17   0.17
    14   1    -0.12  -0.12   0.06    -0.04  -0.03   0.03     0.14  -0.09  -0.00
    15   8    -0.07   0.01  -0.16    -0.01  -0.02  -0.03    -0.07   0.05   0.05
    16   1     0.16   0.07   0.04     0.04  -0.02  -0.00    -0.10  -0.05  -0.05
    17   1     0.29   0.24  -0.36    -0.40  -0.47   0.49     0.08   0.03   0.15
    18   1     0.09  -0.14  -0.20    -0.10   0.29   0.25    -0.00   0.01   0.09
    19   1    -0.11  -0.04  -0.18     0.27  -0.04   0.23     0.13  -0.10   0.13
    20   8    -0.08   0.22  -0.03    -0.03   0.07  -0.01    -0.06   0.12  -0.05
    21   1     0.16   0.02  -0.22     0.04   0.01  -0.06     0.15   0.10   0.50
    22   1     0.08  -0.18  -0.05     0.03  -0.05  -0.01     0.03   0.52   0.14
    23   1    -0.34   0.03  -0.12    -0.04  -0.02  -0.03     0.03   0.05   0.04
    24   1    -0.28   0.19   0.00    -0.10   0.06  -0.01    -0.16   0.12  -0.26
                      7                      8                      9
                      A                      A                      A
 Frequencies --    228.5802               265.0413               275.5196
 Red. masses --      2.0413                 1.6720                 2.4656
 Frc consts  --      0.0628                 0.0692                 0.1103
 IR Inten    --     14.6680                72.1158                73.0949
 RamAct Fr= 1--      0.4142                 0.5056                 0.7360
  Dep-P Fr= 1--      0.7097                 0.7243                 0.7484
  Dep-U Fr= 1--      0.8302                 0.8401                 0.8561
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0573                 0.0708                 0.1050
 AlphaG Fr= 1--     -0.0013                 0.0004                 0.0005
 Gamma2 Fr= 1--     -0.2203                 0.3519                 0.1363
 Delta2 Fr= 1--     -0.2112                 0.2614                 0.2055
 Raman1 Fr= 1--       1.657                  2.022                  2.944
 ROA1   Fr= 1--     -27.909                 42.147                 19.661
 CID1   Fr= 1--     -16.847                 20.841                  6.679
 Raman2 Fr= 1--       0.688                  0.849                  1.260
 ROA2   Fr= 1--      -3.597                  6.355                  1.627
 CID2   Fr= 1--      -5.231                  7.481                  1.291
 Raman3 Fr= 1--       1.375                  1.699                  2.520
 ROA3   Fr= 1--     -27.909                 42.147                 19.661
 CID3   Fr= 1--     -20.293                 24.808                  7.801
 RC180  Fr= 1--       0.660                  0.680                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.04    -0.02   0.05  -0.01    -0.02  -0.01  -0.09
     2   6    -0.04  -0.01   0.03    -0.03   0.03   0.00    -0.03   0.01  -0.04
     3   6    -0.00  -0.02   0.03    -0.02   0.01  -0.01    -0.02  -0.04  -0.11
     4   6     0.01  -0.01   0.02    -0.03   0.01   0.01     0.02  -0.03  -0.06
     5   8    -0.01  -0.00  -0.02    -0.02   0.03   0.03    -0.00   0.05   0.11
     6   6    -0.04  -0.02  -0.00     0.01   0.03   0.01     0.01   0.00   0.01
     7   8     0.07  -0.02  -0.01     0.05   0.07  -0.00     0.17  -0.01   0.01
     8   1     0.00  -0.10   0.04    -0.03   0.06  -0.01    -0.09   0.04  -0.09
     9   8     0.04   0.16  -0.04    -0.05  -0.07  -0.03    -0.07  -0.05  -0.00
    10   1    -0.10  -0.03   0.02    -0.04   0.04   0.00     0.01   0.06  -0.04
    11   1     0.03  -0.02   0.03    -0.03   0.02  -0.01    -0.11  -0.11  -0.11
    12   8    -0.08   0.04  -0.01     0.06  -0.07  -0.00    -0.08   0.10   0.07
    13   6     0.00   0.01   0.04    -0.04  -0.01  -0.01     0.01  -0.00  -0.01
    14   1     0.04   0.01   0.02    -0.05  -0.01   0.00    -0.02  -0.17  -0.06
    15   8     0.06  -0.11  -0.01     0.07  -0.04  -0.01     0.00   0.00  -0.03
    16   1    -0.05   0.03  -0.00     0.03   0.07   0.00     0.09  -0.03   0.01
    17   1     0.15   0.08  -0.16     0.06   0.12   0.02    -0.10  -0.19   0.71
    18   1    -0.23   0.47   0.33    -0.05  -0.03   0.19    -0.12   0.06   0.33
    19   1    -0.34   0.04  -0.36     0.32  -0.06   0.31    -0.21   0.03   0.14
    20   8    -0.02   0.00  -0.02    -0.05   0.01   0.00     0.04  -0.03   0.01
    21   1     0.02   0.00   0.10    -0.05  -0.00  -0.05     0.03  -0.01   0.03
    22   1     0.02   0.08   0.04    -0.04  -0.05  -0.01    -0.02   0.04  -0.01
    23   1     0.31  -0.31  -0.08     0.60  -0.52  -0.16    -0.14   0.08   0.00
    24   1    -0.01   0.01  -0.06    -0.10   0.01  -0.01     0.12  -0.02   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    298.9530               312.8648               327.2175
 Red. masses --      2.1389                 1.7540                 1.8959
 Frc consts  --      0.1126                 0.1012                 0.1196
 IR Inten    --     57.0983                40.3156               127.1143
 RamAct Fr= 1--      0.4191                 0.6697                 2.9317
  Dep-P Fr= 1--      0.1012                 0.3813                 0.3425
  Dep-U Fr= 1--      0.1838                 0.5521                 0.5102
 Alpha2 Fr= 1--      0.0073                 0.0053                 0.0264
 Beta2  Fr= 1--      0.0128                 0.0616                 0.2493
 AlphaG Fr= 1--     -0.0022                -0.0032                -0.0013
 Gamma2 Fr= 1--     -0.1092                -0.0285                -0.4732
 Delta2 Fr= 1--     -0.0175                -0.0669                -0.1046
 Raman1 Fr= 1--       1.676                  2.679                 11.727
 ROA1   Fr= 1--     -11.045                 -4.880                -48.770
 CID1   Fr= 1--      -6.588                 -1.822                 -4.159
 Raman2 Fr= 1--       0.154                  0.739                  2.992
 ROA2   Fr= 1--      -2.481                 -0.149                -10.519
 CID2   Fr= 1--     -16.105                 -0.202                 -3.516
 Raman3 Fr= 1--       0.308                  1.479                  5.983
 ROA3   Fr= 1--     -11.045                 -4.880                -48.770
 CID3   Fr= 1--     -35.841                 -3.300                 -8.151
 RC180  Fr= 1--      -0.632                  0.104                  0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.07     0.02   0.04  -0.07    -0.05  -0.00   0.05
     2   6     0.02   0.01   0.07     0.07  -0.01  -0.09    -0.05   0.01   0.05
     3   6    -0.00  -0.00   0.08     0.01   0.02  -0.03    -0.03  -0.02   0.03
     4   6     0.01  -0.01   0.04    -0.01  -0.01   0.01     0.02   0.00   0.00
     5   8     0.01  -0.07  -0.06    -0.01  -0.00   0.06     0.02  -0.03  -0.02
     6   6     0.02   0.05   0.02     0.03  -0.01  -0.04    -0.01   0.03   0.04
     7   8     0.03   0.06  -0.05    -0.08  -0.04   0.06    -0.03   0.03  -0.01
     8   1     0.03  -0.08   0.07     0.04   0.14  -0.06    -0.04  -0.04   0.05
     9   8     0.05  -0.10  -0.07     0.02  -0.05   0.03    -0.03  -0.05  -0.07
    10   1    -0.06   0.01   0.06     0.15  -0.01  -0.08    -0.12   0.05   0.05
    11   1     0.05   0.03   0.08    -0.06   0.03  -0.03     0.01  -0.02   0.03
    12   8    -0.06   0.01  -0.03     0.06   0.00   0.05    -0.03  -0.06  -0.03
    13   6     0.02  -0.03   0.01    -0.01  -0.02  -0.01     0.09   0.03  -0.03
    14   1     0.03   0.07   0.05    -0.04  -0.05   0.01     0.01   0.04   0.00
    15   8    -0.08   0.12   0.00    -0.05   0.07   0.00    -0.05   0.04  -0.03
    16   1    -0.03   0.14   0.02     0.09  -0.08  -0.04    -0.02   0.09   0.04
    17   1    -0.23  -0.27   0.48     0.05   0.09  -0.23     0.09   0.15  -0.27
    18   1     0.09  -0.13  -0.04    -0.09   0.17   0.62    -0.24   0.29   0.65
    19   1    -0.28   0.04  -0.43    -0.23   0.05  -0.53     0.17  -0.07   0.28
    20   8    -0.00   0.00  -0.01    -0.02   0.01   0.00     0.14  -0.00   0.01
    21   1     0.02  -0.02  -0.04    -0.01  -0.01  -0.05     0.08   0.03  -0.04
    22   1     0.06  -0.07   0.01    -0.01  -0.06  -0.01     0.09   0.01  -0.03
    23   1     0.32  -0.30  -0.12     0.17  -0.10  -0.05    -0.24   0.12   0.01
    24   1    -0.01  -0.00  -0.01    -0.02   0.00   0.02     0.16   0.00   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    342.1318               346.0574               390.2971
 Red. masses --      1.9842                 2.6609                 3.7169
 Frc consts  --      0.1368                 0.1877                 0.3336
 IR Inten    --    182.5837               131.5765                 3.4354
 RamAct Fr= 1--      0.3532                 2.4294                 0.9738
  Dep-P Fr= 1--      0.5880                 0.4624                 0.3989
  Dep-U Fr= 1--      0.7406                 0.6324                 0.5703
 Alpha2 Fr= 1--      0.0011                 0.0142                 0.0072
 Beta2  Fr= 1--      0.0436                 0.2560                 0.0926
 AlphaG Fr= 1--     -0.0033                -0.0076                 0.0116
 Gamma2 Fr= 1--     -0.4902                 0.4269                 0.4769
 Delta2 Fr= 1--     -0.3412                 0.2259                 0.1304
 Raman1 Fr= 1--       1.413                  9.718                  3.895
 ROA1   Fr= 1--     -57.977                 48.213                 49.956
 CID1   Fr= 1--     -41.038                  4.961                 12.825
 Raman2 Fr= 1--       0.523                  3.073                  1.111
 ROA2   Fr= 1--      -9.035                  8.438                 10.403
 CID2   Fr= 1--     -17.272                  2.746                  9.366
 Raman3 Fr= 1--       1.046                  6.145                  2.222
 ROA3   Fr= 1--     -57.977                 48.213                 49.956
 CID3   Fr= 1--     -55.415                  7.846                 22.487
 RC180  Fr= 1--       0.481                  0.265                  0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04  -0.02  -0.03    -0.01   0.01   0.02
     2   6     0.03  -0.01  -0.03    -0.08   0.03  -0.02     0.07  -0.01   0.17
     3   6     0.03  -0.01  -0.02    -0.03  -0.06  -0.04     0.00  -0.01  -0.15
     4   6     0.04  -0.04   0.02     0.03  -0.03  -0.03    -0.07  -0.02  -0.21
     5   8    -0.02  -0.00   0.03    -0.03   0.04   0.06     0.02  -0.04   0.05
     6   6    -0.00   0.01  -0.02    -0.04   0.03   0.01     0.00  -0.01   0.15
     7   8    -0.03  -0.09   0.01    -0.06  -0.04   0.02    -0.06   0.01   0.00
     8   1     0.05  -0.03  -0.02    -0.07   0.01  -0.03    -0.19  -0.03   0.01
     9   8     0.03   0.02   0.02    -0.09   0.10   0.03     0.18  -0.01  -0.05
    10   1     0.06  -0.04  -0.03    -0.07   0.03  -0.02    -0.01   0.10   0.16
    11   1     0.05  -0.00  -0.02    -0.07  -0.09  -0.04     0.02  -0.21  -0.15
    12   8    -0.09   0.13  -0.04     0.04  -0.11   0.04     0.05   0.04   0.07
    13   6     0.04  -0.04   0.03     0.12   0.05  -0.04    -0.11   0.12  -0.04
    14   1     0.06  -0.09   0.02    -0.03  -0.08  -0.03    -0.18  -0.16  -0.21
    15   8    -0.09   0.09   0.02    -0.04   0.03   0.01    -0.08  -0.03  -0.06
    16   1     0.02  -0.02  -0.02     0.01   0.02   0.01     0.00   0.14   0.15
    17   1     0.11   0.05  -0.29    -0.08  -0.07   0.05    -0.01   0.02  -0.15
    18   1     0.06  -0.03  -0.08     0.05  -0.14  -0.51     0.10   0.05  -0.09
    19   1     0.11   0.02   0.68    -0.11  -0.06  -0.38    -0.04   0.01   0.05
    20   8    -0.00  -0.00  -0.02     0.18   0.02   0.01     0.01  -0.02   0.04
    21   1     0.07  -0.04   0.02     0.15   0.04  -0.02    -0.06   0.07   0.21
    22   1     0.08  -0.04   0.02     0.10   0.06  -0.04    -0.30   0.35  -0.06
    23   1     0.40  -0.34  -0.12     0.40  -0.37  -0.11    -0.06  -0.35  -0.11
    24   1     0.04  -0.00   0.12     0.21   0.03   0.02     0.16  -0.00   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    418.0715               430.5450               447.6783
 Red. masses --      5.0289                 1.7119                 2.1150
 Frc consts  --      0.5179                 0.1870                 0.2497
 IR Inten    --     14.9072                92.8111                77.2739
 RamAct Fr= 1--      6.8866                 1.6142                 1.5420
  Dep-P Fr= 1--      0.4320                 0.3110                 0.2826
  Dep-U Fr= 1--      0.6034                 0.4744                 0.4407
 Alpha2 Fr= 1--      0.0453                 0.0160                 0.0166
 Beta2  Fr= 1--      0.6925                 0.1276                 0.1133
 AlphaG Fr= 1--      0.0022                 0.0056                 0.0041
 Gamma2 Fr= 1--      0.1204                 0.3281                -0.4604
 Delta2 Fr= 1--      0.0104                 0.1293                -0.2614
 Raman1 Fr= 1--      27.546                  6.457                  6.168
 ROA1   Fr= 1--      11.894                 35.632                -52.565
 CID1   Fr= 1--       0.432                  5.518                 -8.522
 Raman2 Fr= 1--       8.310                  1.532                  1.359
 ROA2   Fr= 1--       2.807                  6.839                 -8.959
 CID2   Fr= 1--       0.338                  4.466                 -6.591
 Raman3 Fr= 1--      16.621                  3.063                  2.718
 ROA3   Fr= 1--      11.894                 35.632                -52.565
 CID3   Fr= 1--       0.716                 11.632                -19.337
 RC180  Fr= 1--       0.207                 -0.051                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05    -0.01   0.06  -0.02    -0.00  -0.05   0.01
     2   6    -0.06  -0.09   0.01     0.04  -0.01  -0.05    -0.04   0.04   0.06
     3   6     0.16   0.12   0.06    -0.06   0.02   0.02     0.05  -0.05  -0.04
     4   6     0.00   0.13   0.03    -0.05   0.01   0.05     0.05  -0.05  -0.02
     5   8    -0.10   0.11  -0.04     0.01  -0.09   0.01     0.00   0.06  -0.03
     6   6    -0.18  -0.08  -0.01     0.02  -0.08  -0.02     0.01   0.11   0.03
     7   8     0.10  -0.08  -0.02     0.03   0.08   0.01    -0.05  -0.07  -0.00
     8   1     0.12  -0.14   0.04     0.01   0.10  -0.01    -0.05  -0.08   0.01
     9   8    -0.07  -0.10  -0.03     0.03   0.04   0.03    -0.04  -0.02  -0.03
    10   1    -0.09  -0.10   0.00     0.08  -0.04  -0.05    -0.09   0.09   0.06
    11   1     0.21   0.20   0.06    -0.09   0.08   0.02     0.05  -0.09  -0.04
    12   8     0.21   0.11  -0.02    -0.04  -0.03  -0.03     0.04  -0.02   0.00
    13   6     0.00   0.08   0.01    -0.00   0.04  -0.02     0.01  -0.04   0.06
    14   1     0.01   0.19   0.03    -0.07   0.03   0.05     0.14  -0.10  -0.02
    15   8    -0.20  -0.12   0.01    -0.02  -0.04   0.01     0.09   0.06  -0.01
    16   1    -0.25  -0.10  -0.01     0.04  -0.13  -0.02    -0.03   0.20   0.03
    17   1     0.06  -0.10   0.08     0.01   0.09   0.08    -0.03  -0.08  -0.08
    18   1    -0.07  -0.07   0.11     0.04   0.01  -0.07    -0.04  -0.00   0.05
    19   1     0.17   0.13  -0.17     0.01  -0.03   0.02    -0.06  -0.03  -0.10
    20   8     0.03   0.02  -0.03     0.01   0.00  -0.04    -0.11   0.02  -0.06
    21   1    -0.02   0.08   0.03    -0.02   0.05  -0.06     0.07  -0.04   0.11
    22   1     0.03   0.11   0.00     0.05   0.00  -0.01     0.03   0.03   0.05
    23   1    -0.11  -0.24  -0.03     0.01  -0.06  -0.00    -0.02   0.17   0.03
    24   1     0.31   0.04   0.37     0.48   0.01   0.79     0.28   0.02   0.80
                     19                     20                     21
                      A                      A                      A
 Frequencies --    476.3030               547.8020               596.9865
 Red. masses --      5.0759                 3.1535                 5.1513
 Frc consts  --      0.6785                 0.5576                 1.0817
 IR Inten    --      7.3540                42.9171                 3.9286
 RamAct Fr= 1--     14.0358                 1.0956                 1.0123
  Dep-P Fr= 1--      0.0694                 0.1853                 0.2317
  Dep-U Fr= 1--      0.1299                 0.3126                 0.3762
 Alpha2 Fr= 1--      0.2647                 0.0155                 0.0126
 Beta2  Fr= 1--      0.3038                 0.0571                 0.0635
 AlphaG Fr= 1--     -0.0223                 0.0093                 0.0150
 Gamma2 Fr= 1--     -0.2865                -0.0734                -0.1917
 Delta2 Fr= 1--     -0.4812                 0.0375                -0.1609
 Raman1 Fr= 1--      56.143                  4.382                  4.049
 ROA1   Fr= 1--     -42.901                 -5.842                -23.555
 CID1   Fr= 1--      -0.764                 -1.333                 -5.817
 Raman2 Fr= 1--       3.645                  0.685                  0.762
 ROA2   Fr= 1--      -3.026                 -2.060                 -3.314
 CID2   Fr= 1--      -0.830                 -3.008                 -4.352
 Raman3 Fr= 1--       7.291                  1.370                  1.523
 ROA3   Fr= 1--     -42.901                 -5.842                -23.555
 CID3   Fr= 1--      -5.884                 -4.265                -15.463
 RC180  Fr= 1--      -0.740                 -0.375                 -0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.15  -0.04     0.05   0.02   0.20    -0.13  -0.08   0.06
     2   6    -0.05   0.08   0.03    -0.02  -0.06  -0.08    -0.14  -0.12   0.01
     3   6     0.07   0.05  -0.13     0.11  -0.09   0.04     0.00   0.07  -0.04
     4   6     0.10  -0.17   0.04    -0.01  -0.11  -0.14     0.07   0.08  -0.02
     5   8    -0.00  -0.16  -0.06    -0.04   0.03   0.07     0.25  -0.13   0.02
     6   6    -0.07  -0.04   0.08     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8    -0.09   0.18   0.04    -0.05   0.17  -0.04     0.04  -0.03  -0.03
     8   1    -0.17   0.22  -0.03     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8    -0.08   0.02  -0.02    -0.06  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.07   0.20   0.03    -0.08  -0.33  -0.09    -0.29  -0.27  -0.02
    11   1     0.02   0.07  -0.13     0.36  -0.31   0.04     0.03   0.10  -0.04
    12   8     0.11   0.17   0.03    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6     0.15  -0.18   0.09    -0.01   0.02  -0.01    -0.07   0.02  -0.01
    14   1     0.23  -0.29   0.05    -0.10  -0.20  -0.14     0.05   0.08  -0.03
    15   8    -0.04  -0.15  -0.02     0.01   0.03   0.03    -0.07   0.14   0.00
    16   1    -0.14   0.02   0.08     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1    -0.12   0.11   0.05    -0.10  -0.05  -0.09     0.06   0.09   0.04
    18   1    -0.04  -0.02  -0.08    -0.05  -0.01   0.05    -0.28   0.19  -0.14
    19   1    -0.06   0.14  -0.05    -0.12  -0.01   0.03     0.16   0.07  -0.05
    20   8    -0.01   0.03  -0.03     0.00   0.00   0.01    -0.10  -0.03   0.01
    21   1     0.26  -0.15   0.02     0.13  -0.03   0.25    -0.17   0.02  -0.07
    22   1     0.25  -0.21   0.09    -0.15   0.26  -0.02    -0.11  -0.05  -0.00
    23   1    -0.17  -0.15   0.00     0.13   0.16   0.04     0.06  -0.11  -0.06
    24   1    -0.22   0.00  -0.09     0.04   0.01   0.05    -0.07  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    618.8506               665.0052               896.6467
 Red. masses --      3.5156                 4.9323                 1.7615
 Frc consts  --      0.7933                 1.2851                 0.8344
 IR Inten    --     11.9022                28.3402                15.6898
 RamAct Fr= 1--      0.1838                 0.5408                 2.2991
  Dep-P Fr= 1--      0.7232                 0.5944                 0.2755
  Dep-U Fr= 1--      0.8394                 0.7456                 0.4320
 Alpha2 Fr= 1--      0.0001                 0.0016                 0.0253
 Beta2  Fr= 1--      0.0257                 0.0672                 0.1655
 AlphaG Fr= 1--      0.0008                 0.0019                 0.0002
 Gamma2 Fr= 1--      0.1128                -0.3201                 0.3581
 Delta2 Fr= 1--      0.0802                -0.1373                 0.2854
 Raman1 Fr= 1--       0.735                  2.163                  9.196
 ROA1   Fr= 1--      13.389                -35.121                 43.513
 CID1   Fr= 1--      18.216                -16.237                  4.732
 Raman2 Fr= 1--       0.308                  0.806                  1.986
 ROA2   Fr= 1--       2.065                 -6.583                  6.312
 CID2   Fr= 1--       6.694                 -8.164                  3.178
 Raman3 Fr= 1--       0.617                  1.613                  3.973
 ROA3   Fr= 1--      13.389                -35.121                 43.513
 CID3   Fr= 1--      21.701                -21.777                 10.953
 RC180  Fr= 1--       0.679                  0.491                 -0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.06   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.04   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.06   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.16  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.01  -0.03  -0.13     0.03  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.51  -0.08   0.03     0.22   0.15  -0.01     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.01     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.08   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.18   0.04  -0.12     0.02  -0.24   0.04    -0.09   0.18   0.12
    12   8     0.02  -0.04   0.04    -0.13  -0.14  -0.00    -0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.06  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.15  -0.09
    15   8    -0.03   0.03   0.03    -0.18  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.13     0.00  -0.19   0.12     0.04  -0.01   0.03
    17   1     0.03   0.20   0.07    -0.05  -0.02  -0.03     0.04   0.13   0.08
    18   1    -0.03   0.14  -0.09     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.08  -0.01  -0.03    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.08    -0.03  -0.06   0.04     0.32  -0.24   0.51
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.08   0.15   0.04    -0.26  -0.43  -0.05    -0.04  -0.04  -0.01
    24   1    -0.08  -0.00   0.03    -0.15  -0.02   0.09    -0.21  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    993.2260              1007.4172              1019.9211
 Red. masses --      4.0200                 4.0228                 3.7680
 Frc consts  --      2.3365                 2.4055                 2.3094
 IR Inten    --    223.3107                76.7216                41.9592
 RamAct Fr= 1--      0.2369                 3.2052                 1.5703
  Dep-P Fr= 1--      0.7492                 0.4732                 0.6124
  Dep-U Fr= 1--      0.8566                 0.6424                 0.7596
 Alpha2 Fr= 1--      0.0000                 0.0178                 0.0040
 Beta2  Fr= 1--      0.0338                 0.3432                 0.1988
 AlphaG Fr= 1--      0.0000                 0.0290                -0.0139
 Gamma2 Fr= 1--     -0.5491                 0.1414                 0.5416
 Delta2 Fr= 1--     -0.4793                 0.1735                 0.3118
 Raman1 Fr= 1--       0.948                 12.821                  6.281
 ROA1   Fr= 1--     -68.049                 19.123                 61.976
 CID1   Fr= 1--     -71.818                  1.492                  9.867
 Raman2 Fr= 1--       0.406                  4.118                  2.386
 ROA2   Fr= 1--      -9.343                  2.005                 10.505
 CID2   Fr= 1--     -23.023                  0.487                  4.403
 Raman3 Fr= 1--       0.812                  8.236                  4.772
 ROA3   Fr= 1--     -68.049                 19.123                 61.976
 CID3   Fr= 1--     -83.841                  2.322                 12.989
 RC180  Fr= 1--       0.713                  0.285                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10   0.17    -0.11  -0.05  -0.16     0.23  -0.01  -0.10
     2   6     0.07   0.22   0.09    -0.09   0.06   0.04     0.04  -0.15   0.16
     3   6    -0.07   0.12  -0.05     0.08  -0.12   0.14     0.05   0.15  -0.09
     4   6     0.07   0.05  -0.08     0.19   0.02   0.02     0.05   0.04  -0.01
     5   8     0.03  -0.06   0.08     0.08  -0.07   0.11     0.04  -0.05   0.06
     6   6     0.01   0.01  -0.21    -0.15   0.06  -0.14    -0.13  -0.01  -0.06
     7   8     0.03  -0.15  -0.06    -0.04   0.05   0.03    -0.00   0.08   0.06
     8   1    -0.14  -0.10   0.14    -0.12  -0.05  -0.15     0.10   0.07  -0.09
     9   8    -0.04   0.02  -0.04     0.09  -0.03   0.02    -0.10  -0.00  -0.05
    10   1    -0.06   0.11   0.08     0.09   0.17   0.05     0.00  -0.16   0.15
    11   1    -0.02  -0.02  -0.04     0.06  -0.01   0.14    -0.24   0.23  -0.08
    12   8    -0.05  -0.03   0.03     0.04   0.03  -0.04    -0.12  -0.08   0.05
    13   6     0.04  -0.01   0.02    -0.01   0.07  -0.13     0.01  -0.03  -0.04
    14   1     0.07  -0.12  -0.08     0.06   0.23   0.02    -0.03   0.04  -0.01
    15   8    -0.08  -0.12   0.03    -0.04  -0.05   0.01     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.19    -0.10   0.16  -0.13    -0.13   0.20  -0.05
    17   1     0.04  -0.13  -0.06    -0.00   0.35   0.21    -0.05  -0.37  -0.24
    18   1     0.36  -0.28   0.24    -0.03   0.06  -0.06    -0.29   0.14  -0.17
    19   1     0.28   0.11  -0.15    -0.15  -0.06   0.07     0.14   0.03  -0.07
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.05    -0.01  -0.00   0.01
    21   1    -0.01  -0.01  -0.02    -0.01   0.01   0.10     0.03  -0.08   0.16
    22   1     0.02  -0.05   0.02    -0.19   0.24  -0.13    -0.06   0.16  -0.06
    23   1     0.27   0.34   0.06     0.30   0.33   0.03     0.19   0.21  -0.00
    24   1    -0.07  -0.02   0.04     0.03  -0.02  -0.01    -0.10  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1046.3410              1079.1604              1083.6988
 Red. masses --      3.2178                 4.6364                 4.8150
 Frc consts  --      2.0756                 3.1813                 3.3317
 IR Inten    --     56.3832                68.3166               507.0956
 RamAct Fr= 1--      1.8796                 2.2122                 6.9500
  Dep-P Fr= 1--      0.6025                 0.4093                 0.5937
  Dep-U Fr= 1--      0.7519                 0.5808                 0.7451
 Alpha2 Fr= 1--      0.0051                 0.0158                 0.0202
 Beta2  Fr= 1--      0.2356                 0.2141                 0.8630
 AlphaG Fr= 1--     -0.0212                -0.0191                 0.0264
 Gamma2 Fr= 1--      2.4761                -2.1911                 2.6208
 Delta2 Fr= 1--      2.2058                -0.9768                 1.5586
 Raman1 Fr= 1--       7.519                  8.849                 27.800
 ROA1   Fr= 1--     308.296               -241.607                301.471
 CID1   Fr= 1--      41.005                -27.304                 10.844
 Raman2 Fr= 1--       2.827                  2.570                 10.356
 ROA2   Fr= 1--      41.781                -44.773                 50.430
 CID2   Fr= 1--      14.781                -17.423                  4.869
 Raman3 Fr= 1--       5.653                  5.139                 20.713
 ROA3   Fr= 1--     308.296               -241.607                301.471
 CID3   Fr= 1--      54.533                -47.011                 14.555
 RC180  Fr= 1--       0.504                  0.162                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.05     0.10   0.09   0.04     0.05   0.07  -0.00
     2   6     0.07   0.08   0.14    -0.08  -0.01   0.02    -0.13   0.02   0.01
     3   6     0.10  -0.08  -0.05    -0.20  -0.06  -0.00    -0.10  -0.07   0.01
     4   6    -0.12  -0.06   0.18    -0.15  -0.18   0.06    -0.09  -0.00   0.00
     5   8     0.04   0.11  -0.08     0.20   0.11  -0.03     0.18   0.01   0.04
     6   6     0.15  -0.06  -0.09    -0.07   0.04  -0.05    -0.12   0.01  -0.07
     7   8    -0.02   0.03   0.02     0.03  -0.03  -0.01     0.01  -0.02  -0.01
     8   1    -0.35  -0.11  -0.06     0.30   0.15   0.05     0.29   0.13   0.01
     9   8    -0.07   0.03  -0.05     0.03  -0.03   0.03     0.07  -0.04   0.04
    10   1     0.01   0.09   0.13    -0.12  -0.09   0.02    -0.10   0.05   0.02
    11   1    -0.03   0.19  -0.04    -0.29   0.05  -0.00    -0.06  -0.16  -0.00
    12   8     0.01  -0.00   0.00     0.07   0.08  -0.04     0.05   0.05  -0.03
    13   6    -0.06  -0.04  -0.07     0.17   0.12  -0.08    -0.24  -0.17   0.15
    14   1    -0.24   0.16   0.16    -0.21  -0.15   0.04     0.12  -0.04   0.01
    15   8    -0.07  -0.05   0.03    -0.04  -0.02   0.01    -0.02  -0.00  -0.01
    16   1     0.19  -0.10  -0.09    -0.01   0.05  -0.04     0.01   0.04  -0.06
    17   1    -0.03  -0.04  -0.03    -0.01  -0.32  -0.18    -0.01  -0.15  -0.08
    18   1     0.12  -0.11   0.10    -0.14   0.10  -0.11    -0.14   0.12  -0.13
    19   1    -0.39  -0.18   0.20     0.06   0.07  -0.03    -0.02   0.02  -0.01
    20   8     0.05   0.02   0.00    -0.13  -0.09   0.08     0.21   0.12  -0.13
    21   1     0.03  -0.11   0.26     0.33   0.12  -0.12    -0.45  -0.17   0.13
    22   1    -0.05   0.29  -0.10     0.19  -0.04  -0.05    -0.12  -0.06   0.11
    23   1     0.04   0.07   0.03     0.06   0.04   0.01     0.18   0.16  -0.00
    24   1    -0.04   0.01   0.03     0.14  -0.05  -0.08    -0.28   0.04   0.20
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1092.7143              1099.8056              1109.2934
 Red. masses --      2.8069                 3.9999                 3.0367
 Frc consts  --      1.9746                 2.8505                 2.2016
 IR Inten    --    154.5912               175.5411                98.8562
 RamAct Fr= 1--      9.6622                 5.5725                 9.5120
  Dep-P Fr= 1--      0.2763                 0.5789                 0.4043
  Dep-U Fr= 1--      0.4330                 0.7333                 0.5758
 Alpha2 Fr= 1--      0.1063                 0.0179                 0.0694
 Beta2  Fr= 1--      0.6972                 0.6810                 0.9128
 AlphaG Fr= 1--     -0.0175                 0.0182                -0.0547
 Gamma2 Fr= 1--     -1.4783                -2.9054                 2.3550
 Delta2 Fr= 1--     -1.4168                -1.5636                 0.8771
 Raman1 Fr= 1--      38.649                 22.290                 38.048
 ROA1   Fr= 1--    -187.255               -328.950                254.149
 CID1   Fr= 1--      -4.845                -14.758                  6.680
 Raman2 Fr= 1--       8.367                  8.172                 10.953
 ROA2   Fr= 1--     -24.146                -57.219                 49.504
 CID2   Fr= 1--      -2.886                 -7.002                  4.520
 Raman3 Fr= 1--      16.733                 16.345                 21.906
 ROA3   Fr= 1--    -187.255               -328.950                254.149
 CID3   Fr= 1--     -11.191                -20.126                 11.602
 RC180  Fr= 1--      -0.134                  0.467                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.14    -0.07   0.20   0.04    -0.06  -0.06  -0.02
     2   6    -0.02  -0.07   0.15    -0.02  -0.07  -0.08     0.17   0.01   0.06
     3   6    -0.01   0.00   0.14     0.21   0.13  -0.03     0.00   0.05   0.10
     4   6     0.01  -0.06  -0.10     0.01  -0.14   0.11    -0.05  -0.15  -0.04
     5   8    -0.09   0.03  -0.02     0.09   0.02  -0.03     0.11   0.07   0.01
     6   6     0.19  -0.00  -0.04    -0.03   0.14   0.03    -0.17  -0.12  -0.02
     7   8    -0.01  -0.03   0.00     0.01  -0.12  -0.08    -0.02   0.01   0.00
     8   1     0.24   0.06  -0.13    -0.13   0.24   0.03    -0.12  -0.22  -0.03
     9   8    -0.03  -0.01  -0.02     0.03  -0.02   0.03    -0.08   0.04  -0.06
    10   1     0.08   0.04   0.16    -0.03  -0.32  -0.09     0.24   0.09   0.06
    11   1     0.02  -0.13   0.13     0.32   0.16  -0.01     0.03   0.03   0.10
    12   8     0.00   0.02  -0.03    -0.11  -0.09   0.06    -0.01   0.01  -0.00
    13   6    -0.03   0.04   0.08    -0.10   0.03  -0.07    -0.06   0.03   0.06
    14   1     0.09  -0.19  -0.09     0.08  -0.31   0.10     0.12  -0.24  -0.04
    15   8    -0.06  -0.05   0.03    -0.03  -0.04   0.02     0.06   0.08  -0.03
    16   1     0.26   0.15  -0.04    -0.05   0.13   0.04    -0.29  -0.18  -0.02
    17   1     0.02   0.15   0.09     0.05   0.30   0.20     0.03   0.35   0.20
    18   1    -0.32   0.22  -0.19    -0.21   0.16  -0.14     0.17  -0.15   0.11
    19   1     0.10   0.05  -0.05    -0.04  -0.06   0.01     0.19   0.09  -0.08
    20   8     0.01   0.00  -0.02     0.02   0.01   0.01     0.02   0.01  -0.02
    21   1     0.07   0.12  -0.25     0.04   0.02   0.02     0.10   0.10  -0.19
    22   1    -0.06  -0.30   0.11    -0.12   0.09  -0.08    -0.09  -0.24   0.08
    23   1     0.13   0.20   0.04    -0.07  -0.08   0.02    -0.08  -0.14  -0.05
    24   1     0.22   0.04  -0.12     0.16   0.03  -0.07     0.21   0.04  -0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1110.4655              1134.4219              1159.8869
 Red. masses --      2.9171                 3.2406                 3.0550
 Frc consts  --      2.1194                 2.4571                 2.4216
 IR Inten    --     66.6730                12.3208                41.1189
 RamAct Fr= 1--     11.3282                 7.1557                 5.6142
  Dep-P Fr= 1--      0.7485                 0.7450                 0.6363
  Dep-U Fr= 1--      0.8562                 0.8539                 0.7778
 Alpha2 Fr= 1--      0.0003                 0.0006                 0.0116
 Beta2  Fr= 1--      1.6165                 1.0183                 0.7277
 AlphaG Fr= 1--      0.0004                -0.0004                -0.0131
 Gamma2 Fr= 1--      3.0672                -1.0974                 0.1094
 Delta2 Fr= 1--      1.7070                -0.6411                 0.8698
 Raman1 Fr= 1--      45.313                 28.623                 22.457
 ROA1   Fr= 1--     349.076               -125.865                 38.335
 CID1   Fr= 1--       7.704                 -4.397                  1.707
 Raman2 Fr= 1--      19.398                 12.220                  8.733
 ROA2   Fr= 1--      59.957                -21.209                 -4.333
 CID2   Fr= 1--       3.091                 -1.736                 -0.496
 Raman3 Fr= 1--      38.796                 24.440                 17.466
 ROA3   Fr= 1--     349.076               -125.865                 38.335
 CID3   Fr= 1--       8.998                 -5.150                  2.195
 RC180  Fr= 1--       0.712                  0.708                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21   0.00    -0.01   0.08   0.05    -0.02  -0.13   0.01
     2   6     0.09  -0.06   0.08     0.19  -0.10  -0.00     0.12  -0.09  -0.10
     3   6     0.04  -0.11  -0.01    -0.16  -0.11   0.05    -0.00   0.00  -0.01
     4   6    -0.08   0.16  -0.02     0.17  -0.05   0.06    -0.12   0.05  -0.05
     5   8     0.01  -0.02   0.03    -0.05   0.00   0.01     0.08  -0.03   0.02
     6   6    -0.09  -0.07  -0.00     0.01   0.10   0.04     0.00   0.23   0.02
     7   8     0.00  -0.09  -0.06     0.02  -0.02  -0.02    -0.01   0.06   0.02
     8   1    -0.06   0.22  -0.00    -0.10   0.11   0.06    -0.04  -0.18   0.01
     9   8    -0.05   0.00  -0.03    -0.10   0.04  -0.05    -0.05   0.03  -0.02
    10   1     0.15  -0.09   0.08     0.21  -0.34  -0.02     0.21  -0.18  -0.11
    11   1     0.23  -0.29  -0.01    -0.32  -0.03   0.04     0.06  -0.04  -0.02
    12   8     0.03   0.00  -0.03     0.06   0.06  -0.04     0.02   0.00  -0.00
    13   6     0.11  -0.04   0.05    -0.09   0.01  -0.11     0.05  -0.03   0.10
    14   1    -0.25   0.36  -0.03     0.38  -0.04   0.07    -0.39   0.10  -0.06
    15   8     0.04   0.05  -0.02    -0.01  -0.03   0.02    -0.08  -0.11   0.03
    16   1    -0.14  -0.04   0.00    -0.15   0.18   0.04     0.08   0.54   0.03
    17   1     0.03   0.16   0.11     0.01  -0.13  -0.10    -0.00   0.19   0.10
    18   1    -0.17   0.10  -0.11    -0.02  -0.02   0.01     0.06  -0.06   0.05
    19   1    -0.42  -0.19   0.18     0.04   0.06  -0.04    -0.07  -0.04   0.04
    20   8    -0.03  -0.01   0.01     0.03   0.01   0.01     0.00   0.00  -0.02
    21   1     0.02  -0.05   0.05    -0.30  -0.06   0.14     0.12   0.02  -0.07
    22   1     0.18  -0.02   0.05    -0.08   0.28  -0.14    -0.00  -0.21   0.12
    23   1     0.01  -0.01  -0.03    -0.14  -0.12   0.02     0.17   0.23   0.06
    24   1    -0.15  -0.04   0.05    -0.13  -0.01   0.10     0.01   0.00  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.1959              1230.4165              1244.5905
 Red. masses --      1.1581                 1.2523                 1.1720
 Frc consts  --      0.9666                 1.1170                 1.0697
 IR Inten    --     13.8124                 6.1637                13.4250
 RamAct Fr= 1--      2.9133                 2.5041                 5.8459
  Dep-P Fr= 1--      0.7500                 0.5846                 0.7427
  Dep-U Fr= 1--      0.8571                 0.7379                 0.8524
 Alpha2 Fr= 1--      0.0000                 0.0077                 0.0007
 Beta2  Fr= 1--      0.4162                 0.3080                 0.8305
 AlphaG Fr= 1--     -0.0000                 0.0015                 0.0066
 Gamma2 Fr= 1--     -2.9746                 1.6095                 0.5542
 Delta2 Fr= 1--     -1.8992                 1.4359                 0.0471
 Raman1 Fr= 1--      11.653                 10.016                 23.384
 ROA1   Fr= 1--    -346.340                200.460                 54.708
 CID1   Fr= 1--     -29.721                 20.013                  2.340
 Raman2 Fr= 1--       4.994                  3.695                  9.966
 ROA2   Fr= 1--     -56.197                 27.140                 12.923
 CID2   Fr= 1--     -11.253                  7.344                  1.297
 Raman3 Fr= 1--       9.988                  7.391                 19.932
 ROA3   Fr= 1--    -346.340                200.460                 54.708
 CID3   Fr= 1--     -34.674                 27.122                  2.745
 RC180  Fr= 1--       0.714                  0.476                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.00    -0.06  -0.03   0.08     0.02  -0.00   0.03
     2   6     0.01  -0.02   0.01     0.04  -0.02  -0.03    -0.01  -0.02   0.02
     3   6    -0.01   0.02  -0.03    -0.02   0.00  -0.04    -0.06   0.02  -0.06
     4   6    -0.03   0.01   0.04     0.02  -0.00   0.03     0.03   0.01  -0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01   0.00   0.01
     6   6     0.01  -0.02  -0.00    -0.00  -0.05   0.01     0.00  -0.02   0.00
     7   8    -0.01   0.01  -0.00     0.02   0.00  -0.01    -0.03  -0.01  -0.01
     8   1     0.33  -0.09   0.01     0.04   0.20   0.11     0.60  -0.12   0.03
     9   8    -0.01  -0.00  -0.00    -0.01  -0.02   0.01    -0.00   0.01  -0.00
    10   1     0.15   0.23   0.03     0.39   0.58   0.02    -0.12  -0.05   0.02
    11   1     0.24  -0.27  -0.04     0.08   0.13  -0.03    -0.04   0.35  -0.06
    12   8    -0.01   0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.03   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.06  -0.29   0.03     0.02   0.08   0.03     0.13   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00  -0.00
    16   1     0.00   0.09  -0.01     0.01   0.12   0.01    -0.03   0.05  -0.00
    17   1     0.02   0.24   0.15    -0.01  -0.17  -0.10     0.02   0.38   0.23
    18   1    -0.08   0.05  -0.05    -0.29   0.19  -0.20     0.12  -0.08   0.08
    19   1     0.16   0.08  -0.09    -0.02  -0.02   0.02    -0.32  -0.16   0.16
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.07     0.23   0.00   0.01     0.14  -0.01   0.02
    22   1     0.37   0.18  -0.07    -0.21  -0.02   0.00    -0.16   0.01  -0.01
    23   1     0.07   0.08   0.00     0.17   0.17  -0.01     0.01   0.03   0.00
    24   1    -0.28  -0.05   0.16     0.16   0.03  -0.08     0.08   0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1271.7651              1279.7980              1311.2155
 Red. masses --      1.2433                 1.3139                 1.1533
 Frc consts  --      1.1848                 1.2679                 1.1682
 IR Inten    --     50.1201                69.0081                14.8607
 RamAct Fr= 1--      4.3160                 5.0063                 2.6983
  Dep-P Fr= 1--      0.4215                 0.2186                 0.7494
  Dep-U Fr= 1--      0.5930                 0.3588                 0.8568
 Alpha2 Fr= 1--      0.0296                 0.0647                 0.0000
 Beta2  Fr= 1--      0.4266                 0.2993                 0.3853
 AlphaG Fr= 1--     -0.0057                 0.0316                 0.0007
 Gamma2 Fr= 1--     -0.1283                -0.3177                 0.7183
 Delta2 Fr= 1--     -1.0155                -0.7613                 0.5911
 Raman1 Fr= 1--      17.264                 20.025                 10.793
 ROA1   Fr= 1--     -44.813                -54.864                 87.871
 CID1   Fr= 1--      -2.596                 -2.740                  8.141
 Raman2 Fr= 1--       5.119                  3.592                  4.624
 ROA2   Fr= 1--       5.045                 -1.536                 12.510
 CID2   Fr= 1--       0.986                 -0.428                  2.706
 Raman3 Fr= 1--      10.238                  7.184                  9.247
 ROA3   Fr= 1--     -44.813                -54.864                 87.871
 CID3   Fr= 1--      -4.377                 -7.637                  9.503
 RC180  Fr= 1--       0.186                 -0.282                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02    -0.01  -0.04   0.01     0.03   0.00   0.01
     2   6     0.01  -0.01  -0.02    -0.01   0.09   0.03     0.01   0.02  -0.00
     3   6     0.02   0.02   0.05    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
     4   6    -0.02  -0.05  -0.10    -0.00   0.00  -0.02    -0.05  -0.02  -0.01
     5   8    -0.00   0.01   0.01     0.00  -0.02   0.01    -0.01  -0.01  -0.00
     6   6    -0.01  -0.01   0.02     0.02   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.01  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.21   0.06   0.02     0.15  -0.16   0.00    -0.06  -0.18  -0.01
     9   8     0.00  -0.00   0.01    -0.00  -0.04  -0.01    -0.00  -0.01  -0.00
    10   1     0.01   0.13  -0.02     0.50  -0.26   0.05     0.12  -0.11   0.00
    11   1    -0.08   0.57   0.07     0.09   0.19  -0.02     0.01  -0.08  -0.02
    12   8     0.02  -0.02  -0.00     0.00  -0.01   0.01    -0.01   0.01   0.00
    13   6     0.02   0.03   0.01     0.01   0.00   0.01    -0.02  -0.01  -0.02
    14   1     0.14  -0.08  -0.10    -0.07   0.02  -0.02     0.50   0.39   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.01   0.03    -0.00  -0.01  -0.01
    16   1     0.09   0.03   0.02    -0.08  -0.33  -0.06     0.57  -0.23   0.07
    17   1    -0.01  -0.09  -0.05    -0.01  -0.03  -0.02     0.01   0.11   0.06
    18   1    -0.04   0.03  -0.03    -0.32   0.21  -0.20    -0.07   0.04  -0.04
    19   1    -0.34  -0.17   0.17    -0.05  -0.02   0.02     0.09   0.04  -0.04
    20   8     0.00  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.39   0.02  -0.07    -0.06   0.00  -0.02     0.15  -0.01   0.02
    22   1     0.33   0.01   0.00    -0.00  -0.02   0.02     0.18   0.05  -0.03
    23   1     0.09   0.09  -0.00    -0.33  -0.36   0.01     0.14   0.13  -0.00
    24   1    -0.21  -0.04   0.10    -0.06  -0.01   0.03     0.08   0.01  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1336.5493              1344.4574              1355.6619
 Red. masses --      1.3357                 1.2527                 1.2811
 Frc consts  --      1.4059                 1.3341                 1.3872
 IR Inten    --     45.7157                27.0036                 4.2987
 RamAct Fr= 1--      0.7051                 3.7317                 2.2700
  Dep-P Fr= 1--      0.7052                 0.5999                 0.4414
  Dep-U Fr= 1--      0.8271                 0.7499                 0.6124
 Alpha2 Fr= 1--      0.0005                 0.0104                 0.0144
 Beta2  Fr= 1--      0.0972                 0.4664                 0.2317
 AlphaG Fr= 1--      0.0036                 0.0103                 0.0243
 Gamma2 Fr= 1--     -0.4340                -0.2140                -0.1842
 Delta2 Fr= 1--     -0.2500                 1.2919                -0.1089
 Raman1 Fr= 1--       2.820                 14.927                  9.080
 ROA1   Fr= 1--     -49.659                 20.793                -21.165
 CID1   Fr= 1--     -17.607                  1.393                 -2.331
 Raman2 Fr= 1--       1.166                  5.597                  2.781
 ROA2   Fr= 1--      -8.415                -15.472                 -3.549
 CID2   Fr= 1--      -7.215                 -2.764                 -1.276
 Raman3 Fr= 1--       2.333                 11.194                  5.561
 ROA3   Fr= 1--     -49.659                 20.793                -21.165
 CID3   Fr= 1--     -21.287                  1.858                 -3.806
 RC180  Fr= 1--       0.654                  0.500                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01  -0.05    -0.07  -0.02  -0.03     0.01  -0.01   0.01
     2   6    -0.02  -0.01   0.01    -0.04  -0.03   0.05     0.01  -0.02  -0.01
     3   6    -0.03   0.06   0.04     0.01  -0.03  -0.02     0.02  -0.03  -0.03
     4   6    -0.06   0.05  -0.02     0.02  -0.04   0.00    -0.04  -0.07  -0.03
     5   8     0.02  -0.01   0.02    -0.00   0.00  -0.01     0.00  -0.00   0.05
     6   6     0.02   0.01  -0.02    -0.03  -0.00   0.01     0.06   0.00  -0.07
     7   8     0.03   0.01   0.02     0.02   0.00  -0.01    -0.01  -0.00  -0.01
     8   1     0.05   0.09  -0.04     0.27   0.51   0.02     0.02   0.09   0.01
     9   8     0.00   0.02  -0.01     0.00   0.04  -0.03     0.00  -0.00   0.01
    10   1     0.06  -0.08   0.01     0.25  -0.18   0.07    -0.22   0.20  -0.02
    11   1     0.36  -0.10   0.03     0.29   0.19  -0.02     0.02   0.08  -0.04
    12   8     0.02  -0.02  -0.01    -0.02   0.00   0.02    -0.02   0.01   0.02
    13   6    -0.04  -0.04  -0.03     0.01   0.03   0.02    -0.02   0.01   0.01
    14   1     0.45  -0.23  -0.00    -0.11   0.24  -0.00     0.21   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.16   0.14  -0.03     0.26   0.00   0.02    -0.38   0.27  -0.08
    17   1    -0.02  -0.33  -0.18    -0.01  -0.16  -0.09     0.01   0.09   0.05
    18   1     0.14  -0.09   0.08     0.31  -0.20   0.18    -0.04   0.03  -0.02
    19   1    -0.23  -0.12   0.11     0.17   0.08  -0.08     0.20   0.10  -0.09
    20   8    -0.01   0.01   0.02     0.01  -0.01  -0.01     0.00  -0.00   0.01
    21   1     0.32  -0.04   0.08    -0.14   0.03  -0.05    -0.00   0.01  -0.01
    22   1     0.27   0.09  -0.05    -0.07  -0.05   0.02     0.27  -0.01   0.00
    23   1    -0.08  -0.08   0.01     0.00   0.01   0.01    -0.20  -0.20   0.01
    24   1     0.17   0.03  -0.10    -0.10  -0.02   0.06     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.8138              1391.9973              1406.3477
 Red. masses --      1.2143                 1.3138                 1.4023
 Frc consts  --      1.3386                 1.4999                 1.6341
 IR Inten    --      6.3211                37.9380                 3.1905
 RamAct Fr= 1--      1.0886                 5.5315                 6.0818
  Dep-P Fr= 1--      0.4837                 0.7084                 0.7435
  Dep-U Fr= 1--      0.6520                 0.8293                 0.8529
 Alpha2 Fr= 1--      0.0058                 0.0040                 0.0007
 Beta2  Fr= 1--      0.1183                 0.7645                 0.8645
 AlphaG Fr= 1--      0.0026                 0.0011                 0.0035
 Gamma2 Fr= 1--      0.8400                -2.4302                 1.6378
 Delta2 Fr= 1--      0.4605                -1.3205                -0.6939
 Raman1 Fr= 1--       4.354                 22.126                 24.327
 ROA1   Fr= 1--      95.378               -275.558                135.030
 CID1   Fr= 1--      21.905                -12.454                  5.551
 Raman2 Fr= 1--       1.419                  9.174                 10.374
 ROA2   Fr= 1--      16.477                -47.762                 44.859
 CID2   Fr= 1--      11.608                 -5.206                  4.324
 Raman3 Fr= 1--       2.839                 18.349                 20.748
 ROA3   Fr= 1--      95.378               -275.558                135.030
 CID3   Fr= 1--      33.596                -15.018                  6.508
 RC180  Fr= 1--       0.304                  0.659                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.03  -0.01     0.00   0.02  -0.01
     2   6     0.04  -0.00  -0.02     0.02   0.06  -0.01     0.03  -0.09   0.02
     3   6    -0.07  -0.01  -0.01    -0.00  -0.04  -0.02    -0.05   0.02  -0.00
     4   6     0.01  -0.03   0.02     0.06  -0.01  -0.01     0.07  -0.01  -0.01
     5   8    -0.01   0.01   0.00     0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.00  -0.01   0.02     0.01  -0.05   0.06    -0.05   0.09  -0.06
     7   8     0.01   0.01   0.03     0.01   0.00   0.01     0.01   0.00   0.00
     8   1    -0.06  -0.46  -0.09     0.15  -0.22  -0.03    -0.00  -0.06  -0.01
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00    -0.00   0.01   0.01
    10   1    -0.23  -0.00  -0.04     0.03  -0.32  -0.02    -0.26   0.46   0.01
    11   1     0.64   0.15  -0.02     0.07   0.17  -0.02     0.22  -0.02  -0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.00   0.01     0.01  -0.01   0.00
    13   6     0.04   0.03   0.00    -0.06  -0.03   0.01    -0.04  -0.03   0.01
    14   1     0.06   0.12   0.02    -0.35   0.08  -0.03    -0.36   0.03  -0.02
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03     0.01  -0.00   0.02
    16   1    -0.06   0.02   0.02    -0.22   0.03   0.06     0.34  -0.33  -0.05
    17   1    -0.01  -0.17  -0.10    -0.00  -0.11  -0.07    -0.00  -0.03  -0.02
    18   1    -0.06   0.04  -0.04    -0.06   0.04  -0.04     0.06  -0.04   0.03
    19   1     0.02   0.01  -0.02     0.12   0.06  -0.05    -0.06  -0.04   0.03
    20   8     0.01  -0.01  -0.02    -0.02   0.03   0.02    -0.01   0.02   0.01
    21   1    -0.06   0.04  -0.05    -0.05  -0.05   0.07    -0.09  -0.05   0.08
    22   1    -0.35  -0.06   0.02     0.49   0.04  -0.02     0.28  -0.00  -0.01
    23   1     0.07   0.07  -0.00     0.24   0.25  -0.02    -0.19  -0.21   0.01
    24   1    -0.20  -0.04   0.11     0.34   0.08  -0.17     0.26   0.06  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8413              1430.7111              1436.6964
 Red. masses --      1.5856                 1.2770                 1.5021
 Frc consts  --      1.8939                 1.5401                 1.8268
 IR Inten    --      6.3778                40.7346                 3.4958
 RamAct Fr= 1--      9.0623                 3.6804                 3.3472
  Dep-P Fr= 1--      0.7082                 0.6928                 0.6395
  Dep-U Fr= 1--      0.8292                 0.8185                 0.7801
 Alpha2 Fr= 1--      0.0066                 0.0037                 0.0067
 Beta2  Fr= 1--      1.2524                 0.5021                 0.4352
 AlphaG Fr= 1--     -0.0192                 0.0272                 0.0282
 Gamma2 Fr= 1--     -0.6409                 0.0075                 0.4942
 Delta2 Fr= 1--      0.0867                 0.2983                -0.0552
 Raman1 Fr= 1--      36.249                 14.722                 13.389
 ROA1   Fr= 1--     -58.755                 10.269                 45.675
 CID1   Fr= 1--      -1.621                  0.698                  3.412
 Raman2 Fr= 1--      15.029                  6.025                  5.222
 ROA2   Fr= 1--     -16.075                 -2.206                 12.303
 CID2   Fr= 1--      -1.070                 -0.366                  2.356
 Raman3 Fr= 1--      30.057                 12.050                 10.445
 ROA3   Fr= 1--     -58.755                 10.269                 45.675
 CID3   Fr= 1--      -1.955                  0.852                  4.373
 RC180  Fr= 1--       0.658                  0.637                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.04   0.02    -0.06   0.03   0.00     0.10   0.00   0.00
     2   6    -0.13  -0.03  -0.02     0.03   0.04  -0.02    -0.02  -0.00  -0.00
     3   6    -0.06   0.06  -0.00     0.04  -0.01  -0.00    -0.04  -0.13   0.00
     4   6     0.04  -0.06   0.01     0.00   0.01  -0.00    -0.00   0.09  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.00  -0.01
     6   6     0.02  -0.05  -0.00    -0.06  -0.08  -0.04    -0.01  -0.02  -0.02
     7   8    -0.01  -0.01  -0.00     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.33  -0.26  -0.02     0.14  -0.23  -0.02    -0.31   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.61   0.03   0.04    -0.06  -0.07  -0.03     0.07   0.01   0.01
    11   1     0.14  -0.21  -0.01    -0.15   0.01   0.00     0.29   0.49   0.00
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.02   0.02   0.02
    13   6     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.04  -0.01  -0.00
    14   1    -0.12   0.21   0.00    -0.02  -0.05  -0.01    -0.01  -0.36  -0.01
    15   8     0.00   0.01   0.01     0.02   0.01   0.05     0.01   0.01   0.01
    16   1    -0.06   0.30  -0.01     0.49   0.66  -0.06     0.13   0.17  -0.02
    17   1     0.01   0.12   0.08    -0.00  -0.13  -0.08     0.01   0.25   0.14
    18   1     0.20  -0.13   0.13    -0.06   0.04  -0.04     0.00  -0.00   0.01
    19   1    -0.15  -0.08   0.07     0.01   0.01  -0.01     0.28   0.14  -0.13
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.15  -0.03   0.05    -0.13  -0.03   0.02     0.31   0.03  -0.03
    22   1     0.02  -0.03   0.00    -0.05   0.02  -0.00     0.15   0.06  -0.01
    23   1    -0.04  -0.04   0.00    -0.25  -0.25   0.03    -0.09  -0.09   0.01
    24   1     0.10   0.03  -0.05     0.11   0.03  -0.06    -0.02  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1442.3435              1447.6367              1512.0377
 Red. masses --      1.3384                 1.6230                 1.0893
 Frc consts  --      1.6405                 2.0040                 1.4673
 IR Inten    --     45.1314                79.4427                 1.6357
 RamAct Fr= 1--      4.5067                 5.5833                 6.2476
  Dep-P Fr= 1--      0.2557                 0.6157                 0.7323
  Dep-U Fr= 1--      0.4072                 0.7622                 0.8455
 Alpha2 Fr= 1--      0.0526                 0.0137                 0.0019
 Beta2  Fr= 1--      0.3059                 0.7092                 0.8804
 AlphaG Fr= 1--      0.0331                 0.0142                -0.0036
 Gamma2 Fr= 1--     -1.3332                 1.1039                -0.1525
 Delta2 Fr= 1--      0.1212                -0.3252                 0.1290
 Raman1 Fr= 1--      18.027                 22.333                 24.990
 ROA1   Fr= 1--    -124.108                 95.571                -10.516
 CID1   Fr= 1--      -6.885                  4.279                 -0.421
 Raman2 Fr= 1--       3.671                  8.511                 10.564
 ROA2   Fr= 1--     -32.966                 29.096                 -4.692
 CID2   Fr= 1--      -8.981                  3.419                 -0.444
 Raman3 Fr= 1--       7.341                 17.021                 21.129
 ROA3   Fr= 1--    -124.108                 95.571                -10.516
 CID3   Fr= 1--     -16.906                  5.615                 -0.498
 RC180  Fr= 1--      -0.186                  0.524                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.07   0.01     0.04  -0.08  -0.01     0.00  -0.00  -0.00
     2   6    -0.03  -0.05  -0.01     0.05   0.09   0.00     0.00   0.00   0.00
     3   6     0.05  -0.01  -0.01    -0.08   0.09   0.01    -0.01   0.01  -0.00
     4   6     0.03   0.00   0.00     0.08  -0.04   0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
     6   6    -0.00   0.01  -0.00    -0.02  -0.05   0.00    -0.00   0.00  -0.00
     7   8     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     8   1     0.16  -0.38  -0.03    -0.11   0.38   0.03    -0.01   0.01  -0.00
     9   8     0.00   0.02  -0.01    -0.00  -0.03   0.01    -0.00  -0.00   0.00
    10   1     0.16   0.15   0.02    -0.22  -0.25  -0.04    -0.00  -0.00  -0.00
    11   1    -0.24   0.01  -0.01     0.23  -0.25  -0.01     0.02  -0.04   0.00
    12   8    -0.00   0.00  -0.00     0.02  -0.01  -0.01     0.00  -0.00  -0.00
    13   6    -0.09   0.06   0.01    -0.07   0.05   0.00     0.00  -0.06   0.05
    14   1    -0.13   0.00  -0.00    -0.24   0.13   0.00    -0.05   0.05   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00  -0.00
    16   1     0.02  -0.02  -0.00     0.16   0.20  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.15  -0.08     0.00   0.12   0.07     0.00  -0.00   0.00
    18   1     0.12  -0.08   0.07    -0.19   0.12  -0.11    -0.00   0.00  -0.00
    19   1    -0.01  -0.00  -0.00    -0.21  -0.11   0.10    -0.02  -0.01   0.01
    20   8     0.03  -0.04  -0.01     0.02  -0.03  -0.01    -0.01  -0.00   0.01
    21   1     0.50   0.14  -0.12     0.30   0.09  -0.03     0.01   0.13  -0.69
    22   1     0.25  -0.04   0.01     0.21  -0.09   0.01    -0.04   0.70  -0.04
    23   1    -0.02  -0.02   0.00    -0.02  -0.01   0.01    -0.00  -0.00  -0.00
    24   1    -0.46  -0.12   0.23    -0.30  -0.08   0.15     0.02  -0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2978.9809              2980.5444              2987.5747
 Red. masses --      1.0795                 1.0740                 1.0803
 Frc consts  --      5.6444                 5.6215                 5.6810
 IR Inten    --      1.3485                58.7688                 2.9133
 RamAct Fr= 1--     29.7815               320.8426               276.9835
  Dep-P Fr= 1--      0.2326                 0.1370                 0.1716
  Dep-U Fr= 1--      0.3774                 0.2409                 0.2929
 Alpha2 Fr= 1--      0.3704                 5.1258                 4.0521
 Beta2  Fr= 1--      1.8734                12.8833                13.5197
 AlphaG Fr= 1--     -0.0152                 1.3082                 0.1865
 Gamma2 Fr= 1--      3.6670                 6.3687                -4.3762
 Delta2 Fr= 1--      1.7245                 3.3214                -1.4486
 Raman1 Fr= 1--     119.126               1283.370               1107.934
 ROA1   Fr= 1--     407.220                717.674               -466.466
 CID1   Fr= 1--       3.418                  0.559                 -0.421
 Raman2 Fr= 1--      22.481                154.600                162.237
 ROA2   Fr= 1--      74.213                126.277                -93.439
 CID2   Fr= 1--       3.301                  0.817                 -0.576
 Raman3 Fr= 1--      44.961                309.199                324.473
 ROA3   Fr= 1--     407.220                717.674               -466.466
 CID3   Fr= 1--       9.057                  2.321                 -1.438
 RC180  Fr= 1--      -0.245                 -0.518                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00  -0.00   0.00     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.07     0.00   0.00  -0.04     0.00   0.00   0.00
     3   6    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00   0.03
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.03  -0.31    -0.00   0.00  -0.02     0.01   0.05  -0.61
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.06  -0.03   0.81    -0.03  -0.01   0.43     0.00   0.00  -0.01
    11   1    -0.00   0.00  -0.12    -0.00   0.00  -0.13     0.00  -0.01   0.71
    12   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.03    -0.01   0.00  -0.06    -0.00  -0.00  -0.00
    14   1    -0.01  -0.00   0.25     0.01   0.00  -0.27     0.01   0.00  -0.32
    15   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.14    -0.00  -0.00  -0.07    -0.00   0.00   0.10
    17   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.06   0.02     0.01  -0.14  -0.05     0.00   0.01   0.00
    22   1    -0.01  -0.04  -0.37     0.02   0.09   0.83     0.00  -0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2993.2022              3005.6795              3012.6199
 Red. masses --      1.0821                 1.0847                 1.0857
 Frc consts  --      5.7118                 5.7738                 5.8056
 IR Inten    --      5.4374                84.4866               230.6759
 RamAct Fr= 1--     29.7004                37.3292                83.9171
  Dep-P Fr= 1--      0.3597                 0.1839                 0.1924
  Dep-U Fr= 1--      0.5291                 0.3107                 0.3227
 Alpha2 Fr= 1--      0.2526                 0.5289                 1.1628
 Beta2  Fr= 1--      2.6189                 1.9329                 4.5133
 AlphaG Fr= 1--      0.1008                -0.5385                -1.1084
 Gamma2 Fr= 1--     -2.1586                 2.7074                -5.2933
 Delta2 Fr= 1--     -5.8863                 2.9954                 1.1490
 Raman1 Fr= 1--     118.802                149.317                335.668
 ROA1   Fr= 1--    -395.589                355.761               -471.391
 CID1   Fr= 1--      -3.330                  2.383                 -1.404
 Raman2 Fr= 1--      31.426                 23.194                 54.160
 ROA2   Fr= 1--      -4.716                 41.013               -136.231
 CID2   Fr= 1--      -0.150                  1.768                 -2.515
 Raman3 Fr= 1--      62.852                 46.389                108.319
 ROA3   Fr= 1--    -395.589                355.761               -471.391
 CID3   Fr= 1--      -6.294                  7.669                 -4.352
 RC180  Fr= 1--       0.058                 -0.379                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.05     0.00   0.00  -0.03     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02    -0.00   0.00  -0.05    -0.00   0.00  -0.02
     4   6     0.00  -0.00  -0.06     0.00  -0.00  -0.04     0.00   0.00  -0.02
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.02    -0.00   0.00   0.04     0.00  -0.00  -0.07
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.54    -0.00  -0.03   0.33    -0.01  -0.03   0.34
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.27    -0.01  -0.01   0.06    -0.02  -0.01   0.26
    11   1    -0.00   0.01  -0.20     0.01  -0.01   0.58     0.00  -0.00   0.27
    12   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.66    -0.02   0.00   0.52    -0.01  -0.00   0.21
    15   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.19     0.01  -0.01  -0.48    -0.01   0.02   0.83
    17   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    21   1     0.00  -0.09  -0.03     0.00  -0.07  -0.02     0.00  -0.02  -0.01
    22   1     0.01   0.03   0.31     0.01   0.02   0.18     0.00   0.00   0.05
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3089.3482              3727.0772              3762.5718
 Red. masses --      1.0925                 1.0661                 1.0652
 Frc consts  --      6.1436                 8.7256                 8.8846
 IR Inten    --     45.9563               207.8172                72.8155
 RamAct Fr= 1--    150.0215                88.4720               103.5978
  Dep-P Fr= 1--      0.3105                 0.1010                 0.1389
  Dep-U Fr= 1--      0.4738                 0.1834                 0.2440
 Alpha2 Fr= 1--      1.4909                 1.5454                 1.6468
 Beta2  Fr= 1--     11.8476                 2.7042                 4.2128
 AlphaG Fr= 1--     -0.8872                -0.0886                -0.1850
 Gamma2 Fr= 1--     -7.7270                -1.2199                -2.8519
 Delta2 Fr= 1--     -3.2248                -0.5913                -1.2716
 Raman1 Fr= 1--     600.086                353.888                414.391
 ROA1   Fr= 1--    -844.989               -136.031               -314.471
 CID1   Fr= 1--      -1.408                 -0.384                 -0.759
 Raman2 Fr= 1--     142.171                 32.451                 50.554
 ROA2   Fr= 1--    -159.650                -24.546                -58.272
 CID2   Fr= 1--      -1.123                 -0.756                 -1.153
 Raman3 Fr= 1--     284.341                 64.901                101.108
 ROA3   Fr= 1--    -844.989               -136.031               -314.471
 CID3   Fr= 1--      -2.972                 -2.096                 -3.110
 RC180  Fr= 1--      -0.052                 -0.633                 -0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.01
    19   1     0.00  -0.00   0.00    -0.03   0.07   0.02     0.00  -0.01  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.01   0.17     0.00   0.00  -0.01    -0.00   0.00  -0.00
    23   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3776.6682              3780.3867              3791.9232
 Red. masses --      1.0661                 1.0659                 1.0662
 Frc consts  --      8.9587                 8.9755                 9.0322
 IR Inten    --     79.7725                81.2719                93.6529
 RamAct Fr= 1--     98.7604               115.2288               128.7484
  Dep-P Fr= 1--      0.1548                 0.1847                 0.1587
  Dep-U Fr= 1--      0.2682                 0.3118                 0.2739
 Alpha2 Fr= 1--      1.5081                 1.6291                 1.9469
 Beta2  Fr= 1--      4.4138                 5.9882                 5.8766
 AlphaG Fr= 1--     -0.6066                -0.4716                 0.6146
 Gamma2 Fr= 1--     -3.3542                 0.6992                 2.6632
 Delta2 Fr= 1--      1.0493                 3.0283                -0.3423
 Raman1 Fr= 1--     395.041                460.915                514.994
 ROA1   Fr= 1--    -288.427                164.033                244.714
 CID1   Fr= 1--      -0.730                  0.356                  0.475
 Raman2 Fr= 1--      52.966                 71.858                 70.519
 ROA2   Fr= 1--     -88.896                 -7.445                 66.655
 CID2   Fr= 1--      -1.678                 -0.104                  0.945
 Raman3 Fr= 1--     105.932                143.716                141.037
 ROA3   Fr= 1--    -288.427                164.033                244.714
 CID3   Fr= 1--      -2.723                  1.141                  1.735
 RC180  Fr= 1--      -0.464                 -0.376                 -0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8    -0.00  -0.00   0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.00   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1     0.01   0.01  -0.00     0.66   0.73  -0.15     0.02   0.03  -0.01
    19   1    -0.29   0.93   0.22     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.01     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.08  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673592454.181423661.00837
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     513965.7 (Joules/Mol)
                                  122.84075 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.76   137.33   156.13   213.51   260.90
          (Kelvin)            291.78   328.88   381.34   396.41   430.13
                              450.14   470.79   492.25   497.90   561.55
                              601.51   619.46   644.11   685.29   788.16
                              858.93   890.39   956.79  1290.07  1429.03
                             1449.45  1467.44  1505.45  1552.67  1559.20
                             1572.17  1582.37  1596.03  1597.71  1632.18
                             1668.82  1712.43  1770.29  1790.69  1829.79
                             1841.34  1886.55  1923.00  1934.37  1950.50
                             1967.98  2002.77  2023.42  2048.59  2058.47
                             2067.09  2075.21  2082.83  2175.49  4286.09
                             4288.34  4298.45  4306.55  4324.50  4334.49
                             4444.88  5362.43  5413.50  5433.78  5439.13
                             5455.73
 
 Zero-point correction=                           0.195759 (Hartree/Particle)
 Thermal correction to Energy=                    0.208630
 Thermal correction to Enthalpy=                  0.209574
 Thermal correction to Gibbs Free Energy=         0.157445
 Sum of electronic and zero-point Energies=           -687.327402
 Sum of electronic and thermal Energies=              -687.314531
 Sum of electronic and thermal Enthalpies=            -687.313587
 Sum of electronic and thermal Free Energies=         -687.365716
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.917             48.296            109.715
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.140             42.335             37.351
 Vibration     1          0.597              1.973              4.447
 Vibration     2          0.603              1.952              3.545
 Vibration     3          0.606              1.942              3.295
 Vibration     4          0.618              1.904              2.693
 Vibration     5          0.630              1.865              2.315
 Vibration     6          0.639              1.836              2.108
 Vibration     7          0.651              1.797              1.890
 Vibration     8          0.671              1.737              1.628
 Vibration     9          0.677              1.719              1.561
 Vibration    10          0.692              1.676              1.423
 Vibration    11          0.701              1.649              1.347
 Vibration    12          0.711              1.621              1.274
 Vibration    13          0.721              1.591              1.202
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.781              1.431              0.899
 Vibration    17          0.792              1.404              0.857
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.833              1.303              0.720
 Vibration    20          0.903              1.144              0.549
 Vibration    21          0.955              1.038              0.455
 Vibration    22          0.979              0.992              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.380485D-72        -72.419663       -166.752435
 Total V=0       0.419987D+18         17.623235         40.578999
 Vib (Bot)       0.318222D-86        -86.497269       -199.167323
 Vib (Bot)    1  0.342434D+01          0.534577          1.230908
 Vib (Bot)    2  0.215193D+01          0.332827          0.766363
 Vib (Bot)    3  0.188794D+01          0.275989          0.635488
 Vib (Bot)    4  0.136705D+01          0.135785          0.312657
 Vib (Bot)    5  0.110713D+01          0.044199          0.101773
 Vib (Bot)    6  0.982151D+00         -0.007822         -0.018010
 Vib (Bot)    7  0.862193D+00         -0.064396         -0.148277
 Vib (Bot)    8  0.731004D+00         -0.136081         -0.313337
 Vib (Bot)    9  0.699453D+00         -0.155241         -0.357456
 Vib (Bot)   10  0.636516D+00         -0.196190         -0.451745
 Vib (Bot)   11  0.603383D+00         -0.219407         -0.505204
 Vib (Bot)   12  0.571989D+00         -0.242612         -0.558636
 Vib (Bot)   13  0.541996D+00         -0.266004         -0.612497
 Vib (Bot)   14  0.534505D+00         -0.272048         -0.626414
 Vib (Bot)   15  0.459887D+00         -0.337349         -0.776774
 Vib (Bot)   16  0.420616D+00         -0.376114         -0.866035
 Vib (Bot)   17  0.404521D+00         -0.393059         -0.905052
 Vib (Bot)   18  0.383779D+00         -0.415918         -0.957687
 Vib (Bot)   19  0.352246D+00         -0.453154         -1.043426
 Vib (Bot)   20  0.287080D+00         -0.541997         -1.247993
 Vib (Bot)   21  0.250897D+00         -0.600505         -1.382713
 Vib (Bot)   22  0.236596D+00         -0.625992         -1.441400
 Vib (V=0)       0.351260D+04          3.545629          8.164112
 Vib (V=0)    1  0.396065D+01          0.597766          1.376408
 Vib (V=0)    2  0.270925D+01          0.432849          0.996672
 Vib (V=0)    3  0.245303D+01          0.389703          0.897325
 Vib (V=0)    4  0.195562D+01          0.291285          0.670708
 Vib (V=0)    5  0.171480D+01          0.234214          0.539297
 Vib (V=0)    6  0.160210D+01          0.204689          0.471314
 Vib (V=0)    7  0.149668D+01          0.175130          0.403251
 Vib (V=0)    8  0.138564D+01          0.141652          0.326165
 Vib (V=0)    9  0.135979D+01          0.133471          0.307329
 Vib (V=0)   10  0.130942D+01          0.117077          0.269581
 Vib (V=0)   11  0.128363D+01          0.108439          0.249689
 Vib (V=0)   12  0.125972D+01          0.100273          0.230888
 Vib (V=0)   13  0.123740D+01          0.092510          0.213013
 Vib (V=0)   14  0.123191D+01          0.090580          0.208568
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115339D+01          0.061976          0.142705
 Vib (V=0)   17  0.114315D+01          0.058102          0.133784
 Vib (V=0)   18  0.113031D+01          0.053196          0.122489
 Vib (V=0)   19  0.111162D+01          0.045956          0.105817
 Vib (V=0)   20  0.107655D+01          0.032036          0.073766
 Vib (V=0)   21  0.105942D+01          0.025068          0.057720
 Vib (V=0)   22  0.105315D+01          0.022491          0.051788
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   3333 3                  3332222                                    11111111111111111111111111111                                  
   7777 7                  0009999                                    544444433333322221111110000009  8     665544443333322222111    
   9876 2                  8109887                                    144332096543187439631009874209  9     61947431944219762084096  
   2073 7                  9363819                                    282714628647102500040903496073  7     59786818062739659318950  
 
   XXXX X                  XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X     XXXXXXXXXXXXXXXXXXXXXXX  
   XXXX X                  XXX  X                                      XX X      X XX   X XXXXXXXXXX           X XX  XXXXXXX  X      
   XXXX X                   XX                                         X           X      XXXXXX  XX             XX  XXX  XX  X      
   X    X                   X                                                              XXXX    X              X  XXX      X      
        X                   X                                                               XXX    X                 XXX      X      
        X                   X                                                               XXX    X                  X              
        X                   X                                                               X X    X                  X              
        X                   X                                                                 X    X                                 
                            X                                                                 X    X                                 
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000513336   -0.000854455   -0.001312387
      2        6           0.000774555    0.000394692    0.002254865
      3        6          -0.000973830   -0.000716283    0.001415788
      4        6          -0.000133250    0.000908298   -0.000912937
      5        8           0.002541054   -0.001140915    0.000031435
      6        6          -0.002758793    0.001627984   -0.001917190
      7        8          -0.000102975    0.000105114    0.000777530
      8        1          -0.000005721    0.000363683    0.000251947
      9        8          -0.000056595   -0.000313616   -0.001166094
     10        1          -0.000357119   -0.000195083   -0.000802790
     11        1           0.000276016    0.000091471   -0.000383567
     12        8           0.001053187   -0.000565710   -0.001096028
     13        6          -0.004004168   -0.002424029    0.002791318
     14        1          -0.000442120   -0.000161434    0.000102150
     15        8           0.002210858   -0.001605830   -0.000772388
     16        1           0.000529430    0.000174408    0.000295134
     17        1          -0.000350980    0.000736902   -0.000426758
     18        1          -0.000884295   -0.000125504    0.000933717
     19        1           0.000709677    0.000708808    0.000303273
     20        8           0.003258797    0.001135873   -0.001651413
     21        1           0.000101499   -0.000080339   -0.000138445
     22        1           0.000513237    0.000276396   -0.000800325
     23        1          -0.001794509    0.000456056    0.001599157
     24        1          -0.000617290    0.001203511    0.000624008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004004168 RMS     0.001220301
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.127546D+03  0.142850D+01 -0.422172D+00
      2   0.142850D+01  0.115936D+03 -0.189591D+01
      3  -0.422172D+00 -0.189591D+01  0.993998D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.155917D+01 -0.492919D+01  0.609668D+01
      2  -0.470788D+01 -0.723900D+00  0.565597D+01
      3  -0.787887D+01 -0.115446D+02  0.176921D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.329109D+02 -0.101865D+02 -0.198413D+02
      2  -0.267848D+02  0.106916D+02  0.151691D+02
      3  -0.612612D+01 -0.505094D+00  0.467221D+01
      4  -0.214647D+02 -0.864348D+01 -0.264846D+01
      5  -0.119482D+02 -0.427588D+01  0.101783D+02
      6  -0.906535D+00  0.140120D+02 -0.115448D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.342768D+01  0.261132D+01 -0.993448D+00  0.191978D+01  0.278491D+01
      2   0.261132D+01  0.270886D+01  0.310570D+00  0.278491D+01 -0.486495D+01
      3  -0.993448D+00  0.310570D+00 -0.949421D+00  0.398065D+00 -0.144389D+01
                 6             7             8             9            10 
      1   0.398065D+00 -0.141677D+01  0.609529D+00 -0.526259D+00  0.432574D+01
      2  -0.144389D+01  0.609529D+00 -0.283111D+01 -0.103041D+01 -0.244928D+01
      3   0.121948D+01 -0.526259D+00 -0.103041D+01  0.121035D+02  0.148254D+01
                11            12            13            14            15 
      1  -0.244928D+01  0.148254D+01 -0.307854D+01 -0.261729D+01 -0.627411D+00
      2  -0.204856D+01 -0.362242D+00 -0.261729D+01  0.251731D+01  0.100611D+01
      3  -0.362242D+00 -0.175440D+01 -0.627411D+00  0.100611D+01  0.178907D+01
                16            17            18            19            20 
      1   0.259477D+01 -0.100416D+01  0.619633D+00  0.180011D+01 -0.295857D+01
      2  -0.100416D+01  0.158861D+01  0.598920D+00 -0.295857D+01 -0.239459D+01
      3   0.619633D+00  0.598920D+00 -0.123358D+02  0.107082D+01  0.190434D+00
                21            22            23            24            25 
      1   0.107082D+01 -0.433338D+01 -0.389601D+01  0.102514D+00  0.232354D+01
      2   0.190434D+00 -0.389601D+01  0.305930D+01  0.113425D+01  0.319279D+00
      3   0.142451D+01  0.102514D+00  0.113425D+01  0.200132D+01  0.151137D+00
                26            27            28            29            30 
      1   0.319279D+00  0.151137D+00  0.548697D+00  0.439416D+01 -0.129218D+01
      2   0.243898D+01  0.652221D+00  0.439416D+01  0.221947D+01  0.199806D-02
      3   0.652221D+00 -0.115807D+02 -0.129218D+01  0.199806D-02 -0.143272D+01
                31            32            33            34            35 
      1   0.453407D+01  0.362227D+01  0.125253D+00 -0.164184D+01  0.288442D+00
      2   0.362227D+01 -0.433760D+01 -0.115486D+01  0.288442D+00 -0.243125D+01
      3   0.125253D+00 -0.115486D+01 -0.111868D+01 -0.857558D+00  0.381992D-01
                36            37            38            39            40 
      1  -0.857558D+00  0.218020D+01 -0.402178D+01  0.629440D+00 -0.516262D+01
      2   0.381992D-01 -0.402178D+01 -0.595971D+00 -0.708755D+00 -0.128499D+01
      3   0.119646D+02  0.629440D+00 -0.708755D+00  0.129927D+00 -0.147898D+00
                41            42            43            44            45 
      1  -0.128499D+01 -0.147898D+00  0.356960D+01  0.222407D+00  0.233040D+00
      2  -0.400956D+01  0.115309D+01  0.222407D+00  0.169204D+01 -0.104374D+01
      3   0.115309D+01  0.109566D+01  0.233040D+00 -0.104374D+01 -0.188491D+01
                46            47            48            49            50 
      1  -0.478884D+01  0.118056D+01 -0.303067D+00  0.367059D+01  0.269369D+01
      2   0.118056D+01  0.234007D+01  0.127003D+01  0.269369D+01 -0.210216D+01
      3  -0.303067D+00  0.127003D+01 -0.691715D+00  0.107027D+00 -0.817732D+00
                51            52            53            54            55 
      1   0.107027D+00 -0.213289D+01  0.377684D+00  0.434838D+00  0.525642D+01
      2  -0.817732D+00  0.377684D+00 -0.234033D+01  0.380337D+00 -0.104070D+01
      3  -0.333877D+01  0.434838D+00  0.380337D+00  0.120260D+02  0.167982D+01
                56            57            58            59            60 
      1  -0.104070D+01  0.167982D+01 -0.493835D+00 -0.110646D+00 -0.340605D+00
      2   0.206762D+01 -0.251936D+00 -0.110646D+00  0.970433D+01  0.161950D+01
      3  -0.251936D+00  0.131709D+01 -0.340605D+00  0.161950D+01 -0.903907D+00
                61            62            63            64            65 
      1   0.249625D+01 -0.117831D+01 -0.178297D-01  0.572455D+00 -0.441496D+00
      2  -0.117831D+01  0.394949D+01  0.198929D+01 -0.441496D+00 -0.437190D+00
      3  -0.178297D-01  0.198929D+01 -0.216526D-01 -0.106627D+01 -0.344370D-01
                66            67            68            69            70 
      1  -0.106627D+01 -0.229667D+00 -0.411246D+00 -0.547995D-02 -0.205124D+01
      2  -0.344370D-01 -0.411246D+00  0.939614D+00 -0.120178D+01  0.113697D+00
      3   0.332321D+00 -0.547995D-02 -0.120178D+01  0.503524D+00 -0.127313D-02
                71            72            73            74            75 
      1   0.113697D+00 -0.127313D-02 -0.503785D+01  0.418486D+01 -0.133648D+01
      2  -0.218300D+01  0.105924D+01  0.418486D+01  0.119324D+01 -0.168169D+00
      3   0.105924D+01 -0.986706D+01 -0.133648D+01 -0.168169D+00  0.174936D+01
                76            77            78            79            80 
      1   0.772438D+01 -0.435258D+00  0.302041D+00 -0.377511D+01  0.308256D+00
      2  -0.435258D+00  0.411238D+01 -0.116662D+01  0.308256D+00 -0.140377D+01
      3   0.302041D+00 -0.116662D+01  0.617866D+00 -0.178285D+01  0.493295D+00
                81            82            83            84            85 
      1  -0.178285D+01 -0.830247D+00  0.455570D+00  0.118193D+01  0.374672D+00
      2   0.493295D+00  0.455570D+00  0.345139D+00  0.677868D-01  0.346709D+00
      3   0.394286D-01  0.118193D+01  0.677868D-01 -0.361426D+00  0.850069D-01
                86            87            88            89            90 
      1   0.346709D+00  0.850069D-01  0.230273D+01  0.151450D+00 -0.931481D+00
      2  -0.575616D+00  0.115510D+01  0.151450D+00  0.184608D+01 -0.318914D+00
      3   0.115510D+01 -0.680801D+00 -0.931481D+00 -0.318914D+00  0.100088D+02
                91            92            93            94            95 
      1  -0.345689D+00  0.282003D+00  0.116676D+01  0.434378D+00  0.568248D+00
      2   0.282003D+00  0.576669D+00  0.456318D-01  0.568248D+00 -0.495722D+00
      3   0.116676D+01  0.456318D-01 -0.505615D-01  0.622797D-01  0.998042D+00
                96            97            98            99           100 
      1   0.622797D-01  0.214291D+01 -0.139172D-01  0.332627D+00  0.728049D+01
      2   0.998042D+00 -0.139172D-01  0.200670D+01  0.158937D+00  0.263478D+01
      3  -0.416411D+00  0.332627D+00  0.158937D+00  0.972969D+01 -0.928328D+00
               101           102           103           104           105 
      1   0.263478D+01 -0.928328D+00  0.984110D+00  0.404971D+01  0.259660D+00
      2   0.438479D+01  0.266345D+00  0.404971D+01 -0.356758D+01 -0.126305D+01
      3   0.266345D+00 -0.583071D+00  0.259660D+00 -0.126305D+01 -0.163258D+01
               106           107           108           109           110 
      1  -0.225710D+01 -0.533999D+00  0.133968D+01  0.107124D+01 -0.372893D+01
      2  -0.533999D+00 -0.272494D+01  0.722750D+00 -0.372893D+01  0.924349D+00
      3   0.133968D+01  0.722750D+00  0.137562D+00  0.220127D+01 -0.579199D+00
               111           112           113           114           115 
      1   0.220127D+01 -0.385861D+01 -0.238331D+01  0.946273D-01  0.385901D+01
      2  -0.579199D+00 -0.238331D+01  0.906803D+01  0.168209D+01  0.335612D-01
      3   0.179511D+01  0.946273D-01  0.168209D+01 -0.757654D+00 -0.364588D+00
               116           117           118           119           120 
      1   0.335612D-01 -0.364588D+00  0.104195D+01 -0.702885D+00 -0.126052D+01
      2   0.192614D+01  0.128682D+01 -0.702885D+00 -0.121436D+00 -0.806592D-01
      3   0.128682D+01 -0.108193D+02 -0.126052D+01 -0.806592D-01  0.981963D+00
               121           122           123           124           125 
      1  -0.786196D+00 -0.152605D+00 -0.111998D+00 -0.287444D+01 -0.185367D+00
      2  -0.152605D+00  0.307048D+00 -0.109600D+01 -0.185367D+00 -0.157867D+01
      3  -0.111998D+00 -0.109600D+01 -0.112701D+00  0.129896D+01 -0.534795D+00
               126           127           128           129           130 
      1   0.129896D+01 -0.511103D+01 -0.312478D+01  0.264844D+00 -0.321443D+01
      2  -0.534795D+00 -0.312478D+01 -0.325785D+01 -0.369077D-01 -0.343258D+01
      3  -0.989119D+01  0.264844D+00 -0.369077D-01  0.324869D+00 -0.462601D+00
               131           132           133           134           135 
      1  -0.343258D+01 -0.462601D+00 -0.764785D+00 -0.837790D+00 -0.114336D+00
      2  -0.637578D+01 -0.519316D+00 -0.837790D+00 -0.203486D+01  0.103199D+01
      3  -0.519316D+00  0.210970D+01 -0.114336D+00  0.103199D+01 -0.687358D+01
               136           137           138           139           140 
      1  -0.281330D-01 -0.450345D+00 -0.139987D+01 -0.566493D+00 -0.690435D+00
      2  -0.450345D+00 -0.533918D+00 -0.145476D+00 -0.690435D+00 -0.325078D+00
      3  -0.139987D+01 -0.145476D+00 -0.273298D+00  0.896971D-01 -0.106820D+01
               141           142           143           144           145 
      1   0.896971D-01 -0.265610D+01 -0.389379D+00 -0.128140D+01 -0.675310D+01
      2  -0.106820D+01 -0.389379D+00 -0.166589D+01 -0.145740D+01  0.358100D+01
      3  -0.159820D+00 -0.128140D+01 -0.145740D+01 -0.102227D+02 -0.669480D+00
               146           147           148           149           150 
      1   0.358100D+01 -0.669480D+00  0.270363D+01 -0.206222D+01  0.136398D+00
      2  -0.441044D+01  0.102434D+00 -0.206222D+01  0.278602D+01 -0.243344D+00
      3   0.102434D+00 -0.151548D+01  0.136398D+00 -0.243344D+00  0.971446D+00
               151           152           153           154           155 
      1  -0.153587D+01  0.720660D+00 -0.680088D+00 -0.762451D+01 -0.245159D+01
      2   0.720660D+00 -0.108943D+01  0.634044D+00 -0.245159D+01 -0.257987D+01
      3  -0.680088D+00  0.634044D+00 -0.131464D+00 -0.301731D-01  0.609312D-01
               156           157           158           159           160 
      1  -0.301731D-01 -0.548462D+01 -0.209576D+01 -0.142162D+00  0.924720D+00
      2   0.609312D-01 -0.209576D+01 -0.299521D+01  0.293262D+00  0.248857D+00
      3  -0.145990D+01 -0.142162D+00  0.293262D+00 -0.903972D+00 -0.759527D+00
               161           162           163           164           165 
      1   0.248857D+00 -0.759527D+00 -0.624036D+00  0.646649D+00  0.235755D+00
      2   0.472134D+00 -0.180386D+00  0.646649D+00 -0.128396D+01 -0.109134D+00
      3  -0.180386D+00 -0.786655D-01  0.235755D+00 -0.109134D+00  0.116883D+00
               166           167           168           169           170 
      1   0.282412D+01  0.553129D+00 -0.166762D+00  0.651523D+00 -0.869061D-01
      2   0.553129D+00  0.989548D+01  0.636004D+00 -0.869061D-01  0.159757D+01
      3  -0.166762D+00  0.636004D+00  0.165082D+01  0.151109D+00  0.812539D+00
               171           172           173           174           175 
      1   0.151109D+00  0.101427D+02  0.114013D+01 -0.166099D+01  0.105472D+00
      2   0.812539D+00  0.114013D+01  0.841305D+00  0.271243D+00  0.326701D+01
      3   0.128259D+00 -0.166099D+01  0.271243D+00 -0.268372D+00  0.206118D+00
               176           177           178           179           180 
      1   0.326701D+01  0.206118D+00 -0.346469D+01 -0.264966D+00  0.209969D+01
      2  -0.600239D+01 -0.621881D+00 -0.264966D+00 -0.692880D+00  0.495111D-01
      3  -0.621881D+00 -0.137281D+01  0.209969D+01  0.495111D-01 -0.474437D+00
               181           182           183           184           185 
      1   0.681134D+00 -0.117196D+01 -0.617156D+00 -0.260943D+01  0.265973D+01
      2  -0.117196D+01  0.620065D+00  0.103986D+00  0.265973D+01 -0.112984D+02
      3  -0.617156D+00  0.103986D+00  0.256811D+00  0.108645D+00 -0.949301D+00
               186           187           188           189           190 
      1   0.108645D+00 -0.138372D+01  0.448092D+00  0.496685D+00  0.182420D-01
      2  -0.949301D+00  0.448092D+00 -0.206185D+01 -0.135743D+01  0.341426D+00
      3  -0.107874D+01  0.496685D+00 -0.135743D+01  0.261861D+00  0.120242D+01
               191           192           193           194           195 
      1   0.341426D+00  0.120242D+01  0.100027D+01  0.243338D+00 -0.126807D-01
      2   0.235545D-01  0.618407D-01  0.243338D+00 -0.963472D+00  0.100153D+01
      3   0.618407D-01 -0.197062D+00 -0.126807D-01  0.100153D+01  0.715642D+00
               196           197           198           199           200 
      1   0.238069D+01 -0.229995D+00  0.107194D+01 -0.457571D+00 -0.234361D+00
      2  -0.229995D+00  0.162531D+01 -0.137227D+01 -0.234361D+00 -0.950390D-01
      3   0.107194D+01 -0.137227D+01  0.108805D+02  0.361718D+00 -0.145980D+00
               201           202           203           204           205 
      1   0.361718D+00 -0.586283D+00 -0.350176D+00  0.298823D+00  0.243705D+01
      2  -0.145980D+00 -0.350176D+00 -0.153788D+01  0.947022D+00  0.111436D+01
      3   0.399972D+00  0.298823D+00  0.947022D+00 -0.163094D+01 -0.125304D+01
               206           207           208           209           210 
      1   0.111436D+01 -0.125304D+01  0.109246D+00  0.132421D+01  0.806375D-01
      2   0.348553D+01 -0.285139D+01  0.132421D+01 -0.486317D+00 -0.130333D+00
      3  -0.285139D+01  0.714148D+01  0.806375D-01 -0.130333D+00  0.708605D+00
               211           212           213           214           215 
      1   0.412861D+01 -0.866217D+00 -0.358558D+00  0.271759D+00 -0.231487D+00
      2  -0.866217D+00  0.706192D+01 -0.800059D-01 -0.231487D+00  0.409390D+00
      3  -0.358558D+00 -0.800059D-01  0.143325D+01  0.340882D+00  0.238628D+00
               216 
      1   0.340882D+00
      2   0.238628D+00
      3  -0.240244D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124907D+01  0.162815D+00 -0.447304D+00 -0.170975D+01  0.231689D+01
      2   0.116513D+01 -0.528395D-01  0.133867D+01  0.971554D+00  0.191999D+01
      3  -0.134799D+01  0.104573D+01 -0.102158D+01  0.615069D+01 -0.133724D+01
                 6             7             8             9            10 
      1   0.125526D+01  0.743097D+00  0.392791D+01 -0.112185D+02 -0.719694D+00
      2   0.870219D-01 -0.269227D+01 -0.669044D-02 -0.707543D+01 -0.278095D+01
      3  -0.129956D+00 -0.933276D+00 -0.223022D+01 -0.125982D+01 -0.344073D+01
                11            12            13            14            15 
      1  -0.257489D+01 -0.843464D+00 -0.340084D+00 -0.158294D+01 -0.209590D+01
      2  -0.343112D+00  0.320213D+00  0.327932D+00 -0.155658D+01 -0.258536D+01
      3  -0.545280D+01 -0.211255D+00  0.858179D+00  0.307110D+01  0.269438D+01
                16            17            18            19            20 
      1  -0.120283D+01  0.248978D+01 -0.104550D+01 -0.197503D+01  0.107723D+00
      2  -0.368148D+01 -0.133952D+01  0.165644D+02 -0.316460D+00  0.133600D+01
      3  -0.110319D+01  0.251593D+01  0.113395D+01  0.255837D+01 -0.429206D+01
                21            22            23            24            25 
      1   0.802331D+00 -0.127626D+01 -0.147968D+01 -0.707803D+00  0.499974D+00
      2  -0.206349D+00  0.388023D+00  0.115657D+01 -0.200114D+00 -0.405556D+01
      3   0.203398D+00  0.198629D+01 -0.430181D+01 -0.175959D+01  0.236091D+01
                26            27            28            29            30 
      1   0.203161D+01  0.692398D+01 -0.204765D+01  0.826041D+00  0.128932D+01
      2   0.467635D+00 -0.638937D+01 -0.203611D+01  0.117918D+01 -0.369420D+01
      3  -0.108790D+01 -0.507872D+00 -0.767038D+01 -0.926114D+01  0.327583D+00
                31            32            33            34            35 
      1  -0.635665D+00  0.122785D+00  0.400555D-01  0.777639D-01  0.326787D+01
      2  -0.680065D+00 -0.117062D+01 -0.363556D+01 -0.558413D+01  0.673482D+00
      3  -0.556222D+01  0.691286D+01  0.213887D+01  0.685497D+00  0.104596D+01
                36            37            38            39            40 
      1   0.518189D+01  0.233450D+01 -0.282866D+00 -0.136408D+01  0.449287D+00
      2   0.177092D+02  0.944409D+00  0.266843D+00  0.135111D+02 -0.103428D+00
      3   0.657751D+00 -0.340803D+01 -0.186244D+01 -0.170443D+01  0.204277D+02
                41            42            43            44            45 
      1   0.849095D+00 -0.549065D+01  0.205859D+01  0.291681D+01 -0.196990D-01
      2  -0.150556D+00  0.702487D+00 -0.791400D+01 -0.154351D+01  0.141859D+01
      3   0.243664D+01  0.613096D-01 -0.523573D+01 -0.539765D+00 -0.368963D+00
                46            47            48            49            50 
      1  -0.554319D+00  0.353442D+00 -0.739766D+00 -0.100119D+01 -0.212915D+00
      2   0.142244D+01  0.220383D+00 -0.587917D+01 -0.188436D+00  0.221016D+01
      3   0.856882D+01  0.550416D+01  0.986966D+00 -0.605131D+00 -0.213852D+01
                51            52            53            54            55 
      1  -0.702579D+00 -0.192490D+01  0.287029D+01  0.111819D+02 -0.470785D+01
      2   0.476980D+01 -0.445360D+01 -0.165378D+01 -0.183847D+02 -0.402509D+01
      3  -0.206570D+01  0.226061D+01 -0.274406D+01 -0.299044D+00  0.173790D+02
                56            57            58            59            60 
      1   0.180457D+01 -0.202744D+01  0.234943D+01 -0.430591D+01 -0.692823D+01
      2   0.318092D+01  0.125052D+01  0.843664D+00 -0.239219D+01 -0.212710D+00
      3  -0.615157D+01  0.293161D+01  0.454017D+01  0.101906D+02  0.145964D+00
                61            62            63            64            65 
      1  -0.103488D+01  0.141331D+01 -0.313677D+01  0.126574D+01 -0.127607D-01
      2  -0.511373D+01 -0.271705D+00 -0.105060D+01  0.989623D+00 -0.528105D+00
      3   0.684742D+01  0.197394D+01  0.182922D+01  0.356375D+00 -0.188488D+01
                66            67            68            69            70 
      1  -0.507236D+00  0.121668D+00  0.146028D+01 -0.853493D+00 -0.292415D+00
      2   0.121810D+01 -0.347839D+00  0.455863D+00 -0.249360D-01 -0.458520D+01
      3  -0.116457D+01  0.652040D+00  0.179745D+00 -0.792295D+00 -0.271492D+01
                71            72            73            74            75 
      1   0.417300D+01  0.112054D+02 -0.119133D+01  0.979607D-01  0.165305D+01
      2  -0.483440D+00  0.640890D+01  0.596299D+01  0.159678D+01  0.460942D+01
      3  -0.116482D+01  0.983327D+00  0.127662D+02 -0.385487D+00 -0.384867D+00
                76            77            78            79            80 
      1  -0.234984D+01 -0.658890D+00 -0.303705D+01  0.157274D+01  0.387831D+01
      2   0.145076D+01  0.322357D+01 -0.427233D+01 -0.133013D+01 -0.159762D+01
      3   0.865443D+01  0.184879D+02 -0.220829D+01 -0.229114D+00 -0.589457D+01
                81            82            83            84            85 
      1   0.655412D+00  0.154866D+00  0.332286D+00 -0.245063D-01  0.619583D+00
      2   0.261007D+01 -0.205590D+01 -0.173241D+00  0.104881D+01  0.670421D-01
      3   0.855188D+00  0.836485D+00 -0.446421D+00  0.111934D+00  0.174119D+01
                86            87            88            89            90 
      1  -0.436223D+00 -0.187918D+01  0.307653D+00  0.462536D+01 -0.101490D+01
      2  -0.195771D+01  0.117765D+01 -0.377169D+01  0.434119D+00 -0.156314D+02
      3  -0.616417D+00  0.145078D+01  0.308020D+00  0.329614D+01  0.539546D-01
                91            92            93            94            95 
      1  -0.864163D+00  0.231631D+00  0.522932D+00  0.209665D+00 -0.125648D+01
      2   0.158876D+01  0.184593D+00  0.473733D+00  0.546140D+00  0.205286D+00
      3  -0.359892D+00 -0.115168D+01  0.831059D+00  0.126387D+01  0.264011D+00
                96            97            98            99           100 
      1  -0.814182D+00 -0.449947D+00  0.483778D+01 -0.748835D+01  0.230736D+01
      2  -0.658227D+00 -0.517038D+01  0.371579D+00  0.601346D+01 -0.188940D+01
      3  -0.395607D+00  0.131741D+01 -0.136941D+01 -0.885751D-01  0.101476D+02
               101           102           103           104           105 
      1  -0.256708D+00 -0.244911D+01  0.102624D+01  0.502464D+01 -0.270417D+01
      2  -0.802702D+00  0.623285D+01  0.493066D+00 -0.200118D+01  0.900742D+00
      3  -0.124905D+02 -0.148982D+01 -0.185473D+01  0.154384D+02  0.278694D+01
               106           107           108           109           110 
      1  -0.186418D+01  0.409334D+01  0.186911D+01  0.186668D+01 -0.240486D+00
      2  -0.191516D+01  0.104826D+01 -0.151606D+01  0.318460D+01 -0.586466D+00
      3  -0.483051D+01  0.492617D+01  0.718103D+00  0.402388D+01  0.381204D+01
               111           112           113           114           115 
      1   0.267132D+01 -0.199754D+01  0.885394D+01 -0.123385D+01 -0.170254D+01
      2   0.896128D+00  0.312700D+00  0.401327D+01 -0.367605D+01 -0.477439D+01
      3  -0.124473D+01  0.131337D+02 -0.173936D+02 -0.394574D+01 -0.358170D+01
               116           117           118           119           120 
      1   0.316409D+01 -0.160338D+02 -0.451194D+00  0.674414D-01  0.788557D+00
      2   0.321868D+01 -0.224851D+02 -0.120179D+01 -0.472332D+00  0.250272D+01
      3  -0.482437D+01 -0.281744D+01  0.495182D+00 -0.201914D+00  0.111519D+01
               121           122           123           124           125 
      1  -0.518108D-01 -0.110710D+01 -0.959937D+00  0.418205D+00  0.419470D+01
      2   0.253394D-01 -0.140523D+01  0.149958D-01 -0.419239D+01 -0.563839D+00
      3   0.236255D+01 -0.109926D+01  0.154490D+01  0.241003D+01  0.278364D+01
               126           127           128           129           130 
      1  -0.478803D+01  0.205185D+00 -0.493257D+00 -0.211118D+01  0.379494D+00
      2  -0.127461D+02 -0.662986D+00 -0.171136D+01  0.670833D+01  0.665665D+00
      3  -0.523595D+00  0.649448D+01 -0.745830D+01  0.710383D+00  0.705445D+01
               131           132           133           134           135 
      1   0.358149D+00 -0.343084D+01  0.204838D+01  0.583352D+01 -0.158810D+02
      2   0.739420D+00 -0.164147D+01 -0.147199D+01 -0.350835D+01  0.139156D+02
      3  -0.647605D+01 -0.591680D+00  0.518159D+00 -0.120577D+01  0.287151D+01
               136           137           138           139           140 
      1  -0.149865D+01  0.238137D-01 -0.386486D+00  0.820393D+00 -0.131722D+01
      2   0.216637D+01 -0.959064D-02  0.118052D+01  0.213128D+00  0.112626D+01
      3  -0.657803D+00 -0.158110D+01  0.199179D+01  0.836322D+00  0.116220D+01
               141           142           143           144           145 
      1  -0.790736D+00 -0.853443D+00  0.364986D+01 -0.108514D+02  0.367057D+01
      2  -0.356693D+00 -0.384031D+01  0.157315D+01  0.145035D+02  0.367433D+01
      3  -0.154860D+01  0.369149D+01 -0.205397D+01  0.927337D+00 -0.176462D+02
               146           147           148           149           150 
      1  -0.171060D+01  0.443533D+01 -0.111645D+01  0.135283D+01 -0.221308D+01
      2  -0.209693D+01  0.331708D+01 -0.142693D+01  0.115647D+01 -0.174904D+01
      3   0.266886D+01 -0.221206D+01  0.531335D+01 -0.277055D+01  0.138430D+00
               151           152           153           154           155 
      1   0.215571D+01 -0.103364D+01  0.667062D+00  0.159547D+01  0.980733D+00
      2   0.865719D+00 -0.120736D+01  0.623251D+00 -0.273483D+01 -0.145602D+01
      3  -0.451741D+01  0.407151D+00 -0.118735D+01 -0.113004D+02 -0.109155D+02
               156           157           158           159           160 
      1  -0.464925D+00  0.136332D+01  0.100979D+01 -0.461870D+00 -0.216024D+00
      2   0.486230D+01 -0.206887D+01 -0.202189D+01  0.362024D+01  0.170469D+01
      3   0.161500D+00 -0.862108D+01 -0.145734D+02  0.109640D+01  0.103783D+01
               161           162           163           164           165 
      1   0.744293D+00  0.281936D+00 -0.482093D+00  0.740587D+00  0.343691D+00
      2   0.873410D+00  0.170836D-01  0.569424D+00 -0.316325D+00 -0.271165D+00
      3   0.252687D+01 -0.787981D+00 -0.506480D+01  0.512202D+01  0.106787D+01
               166           167           168           169           170 
      1   0.540124D+00 -0.350817D+01 -0.456630D+01 -0.228667D+00 -0.136546D+01
      2  -0.492269D+00  0.822675D+00  0.213540D+01 -0.815409D+00  0.123177D+01
      3   0.806695D+01 -0.209160D+02 -0.205034D+01  0.242742D+01 -0.392199D+01
               171           172           173           174           175 
      1  -0.592656D+00 -0.120104D+01 -0.102363D+01 -0.214590D+01  0.117076D+01
      2   0.191185D+00 -0.429910D+01 -0.896321D+00  0.859683D+01  0.525064D+00
      3  -0.113412D+01 -0.104085D+02 -0.143763D+02  0.161407D+01 -0.960308D+01
               176           177           178           179           180 
      1   0.210105D+01 -0.421031D+01  0.242257D+01  0.458745D+01  0.543374D+00
      2  -0.161408D+01 -0.218536D+01  0.163576D+01  0.860936D-01 -0.370561D+01
      3   0.245578D+02  0.101558D+01  0.223187D+01  0.430553D+01 -0.218448D+01
               181           182           183           184           185 
      1  -0.166359D+01  0.534466D+00  0.815284D+00  0.109002D+01 -0.592374D+01
      2  -0.149457D+01  0.617168D+00  0.171389D+01  0.495612D+00 -0.240542D+01
      3   0.211938D+01 -0.113811D+01  0.727473D+00  0.100539D+01  0.236469D+02
               186           187           188           189           190 
      1  -0.526888D+01  0.110691D+01 -0.181284D+01 -0.371345D+00  0.218943D+01
      2  -0.295924D+01  0.563551D+00 -0.322420D+01  0.469224D+00  0.359772D+01
      3   0.223134D+01  0.212373D+01  0.405548D+01  0.248162D+01 -0.691797D-01
               191           192           193           194           195 
      1   0.144743D-01 -0.138941D+00 -0.697619D-01  0.962393D+00  0.788216D+00
      2  -0.169780D+00  0.283267D+00 -0.942042D+00  0.260832D+01  0.167893D+01
      3  -0.153094D+01 -0.163808D+01 -0.112585D+01  0.171283D+01 -0.212409D+01
               196           197           198           199           200 
      1   0.884265D+00  0.309671D+01  0.149242D+02  0.845398D+00  0.256035D-01
      2  -0.317121D+01 -0.286457D+01  0.251698D+02 -0.193122D+01  0.971976D-02
      3  -0.272517D+01 -0.371307D+01  0.264785D+01 -0.276635D+00  0.156147D+00
               201           202           203           204           205 
      1   0.115507D+01  0.574729D+00  0.229913D+01 -0.369507D+01 -0.321245D+01
      2  -0.107142D+01 -0.788403D+00 -0.226429D+01  0.351509D+01  0.142506D+00
      3  -0.121061D+01  0.751167D+00 -0.213081D+01  0.144902D+01 -0.351275D+01
               206           207           208           209           210 
      1  -0.447573D+01  0.180112D+02 -0.327658D+00  0.291618D+00 -0.826534D+00
      2   0.638851D+01 -0.156023D+02 -0.469280D-01  0.763864D-01  0.758179D+00
      3   0.452096D+01 -0.335454D+01 -0.481253D+01  0.429965D+01  0.448402D+00
               211           212           213           214           215 
      1   0.431801D-01 -0.397455D+01  0.260166D+00 -0.596325D+00  0.864235D+00
      2  -0.287413D+00 -0.698113D+00  0.555472D+01 -0.156303D+00  0.118286D+01
      3   0.635084D+01 -0.335923D+02  0.647877D+00  0.116338D+01 -0.160787D+01
               216 
      1   0.493110D-01
      2  -0.817455D+00
      3  -0.646039D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.265198D+01 -0.868581D+01 -0.339719D+00 -0.599809D+01  0.147178D+02
      2   0.200008D+01  0.122029D+02 -0.980933D+00  0.756681D+01 -0.281259D+02
      3  -0.465206D+01 -0.351708D+01  0.132065D+01 -0.156872D+01  0.134081D+02
      4  -0.403578D+01 -0.273875D+01 -0.950371D+00 -0.997907D+01  0.113927D+02
      5   0.215823D+01 -0.123446D+01 -0.895591D+00 -0.388084D+01  0.181045D+01
      6   0.716087D+00  0.219508D+01  0.971325D+00  0.307678D+01 -0.784229D+01
                 6             7             8             9            10 
      1   0.303914D+01  0.194414D+01  0.441124D+01  0.123425D+02 -0.245592D+02
      2  -0.813975D+00 -0.571364D+00 -0.120213D+02  0.653398D+01  0.118671D+02
      3  -0.222516D+01 -0.137278D+01  0.761007D+01 -0.188765D+02  0.126921D+02
      4   0.262000D+01 -0.234549D+01  0.383417D+01  0.465562D+00  0.128132D+02
      5   0.652128D+00  0.122931D+01  0.174156D+01 -0.152745D+02 -0.875896D+01
      6  -0.101814D+02 -0.584057D-01 -0.360058D+01  0.292058D+02  0.293282D+00
                11            12            13            14            15 
      1   0.596774D+01 -0.127874D+01  0.111831D+02  0.743710D+01  0.122642D+01
      2  -0.704380D+00  0.483510D+01 -0.651200D+01 -0.129203D+01 -0.166547D+01
      3  -0.526336D+01 -0.355636D+01 -0.467112D+01 -0.614507D+01  0.439052D+00
      4  -0.439229D+01  0.125720D+01  0.621934D+01 -0.652996D+01 -0.249843D+01
      5   0.110981D+01 -0.542829D+01  0.316140D+01 -0.771901D+00 -0.474994D+01
      6  -0.251451D+01  0.250099D+01 -0.136929D+01  0.430500D+00  0.296214D+00
                16            17            18            19            20 
      1  -0.129916D+02  0.276695D+01  0.822309D+01 -0.884902D+01  0.128944D+01
      2   0.439125D+01 -0.278410D+01  0.105097D+02  0.169878D+01 -0.830024D+01
      3   0.860039D+01  0.171495D-01 -0.187328D+02  0.715024D+01  0.701081D+01
      4   0.661456D+01 -0.430819D+01 -0.273024D+01 -0.829253D+01 -0.110445D+02
      5  -0.243488D+01 -0.257100D+01  0.414033D+02  0.295494D+01  0.162185D+01
      6   0.494236D+00  0.438068D+00  0.111159D+01 -0.231845D+00  0.178084D+01
                21            22            23            24            25 
      1  -0.166736D+01 -0.791794D+01 -0.459749D+01 -0.291462D+01  0.283177D+01
      2  -0.247965D+01  0.813309D+00  0.288036D+01 -0.838370D-01  0.130126D+01
      3   0.414701D+01  0.710464D+01  0.171713D+01  0.299846D+01 -0.413304D+01
      4   0.640549D+00 -0.136727D+02 -0.340201D+01 -0.449053D-01  0.456328D+01
      5  -0.612989D+01  0.254921D+01  0.497672D+00 -0.126814D+01  0.625235D+00
      6  -0.262586D+01 -0.323537D-01  0.385186D+01 -0.262460D+01 -0.465787D+00
                26            27            28            29            30 
      1   0.295253D+00  0.991849D+01 -0.118151D+02  0.133667D+02 -0.584272D+01
      2   0.141392D+01  0.125110D+02  0.478826D+01 -0.108991D+02  0.246632D+00
      3  -0.170918D+01 -0.224295D+02  0.702681D+01 -0.246762D+01  0.559608D+01
      4   0.482089D+01  0.836997D+00 -0.228042D+01 -0.101417D+02  0.354609D+01
      5   0.374344D+00 -0.152910D+02 -0.534284D+01  0.207370D+01 -0.131128D+02
      6   0.282613D+01 -0.170860D+02  0.491775D+01 -0.974261D+00  0.945790D-01
                31            32            33            34            35 
      1   0.907834D+01  0.681425D+01 -0.427246D+01 -0.305913D+01 -0.928058D+00
      2  -0.602858D+01 -0.632124D+01 -0.574560D-01 -0.307260D+01  0.265260D+01
      3  -0.304977D+01 -0.493010D+00  0.432992D+01  0.613173D+01 -0.172455D+01
      4  -0.895212D+01 -0.179825D+02 -0.191633D+01  0.167611D+01 -0.294788D+01
      5  -0.158446D-01 -0.898977D+00 -0.679529D+01 -0.463731D+01 -0.794174D-01
      6  -0.660028D+00  0.173051D+01 -0.438846D+01  0.749945D+00 -0.101588D+01
                36            37            38            39            40 
      1   0.938251D+01  0.439919D+01 -0.268510D+01 -0.133356D+01  0.568054D-02
      2   0.998870D+01 -0.827966D+00  0.292313D+01 -0.259736D+00  0.102685D+01
      3  -0.193712D+02 -0.357122D+01 -0.238031D+00  0.159329D+01 -0.103253D+01
      4   0.565397D+00 -0.800774D+00  0.220666D+02 -0.176316D+01  0.176552D+02
      5   0.342590D+02  0.200505D+01 -0.655660D-01  0.258533D+02 -0.168775D+01
      6  -0.126601D+02 -0.203517D+01  0.236529D+01  0.308677D+01 -0.489080D+00
                41            42            43            44            45 
      1  -0.188493D+02  0.533748D+01  0.144354D+01  0.418327D+01 -0.987371D+01
      2   0.254175D+02 -0.105884D+01 -0.227252D+01 -0.437331D+01 -0.289576D+01
      3  -0.656821D+01 -0.427865D+01  0.828983D+00  0.190043D+00  0.127695D+02
      4   0.382996D+01 -0.369812D+00 -0.748551D+01  0.170327D+00 -0.132539D+01
      5  -0.102802D+01  0.249141D+01  0.706177D+01  0.346779D-01  0.272169D+01
      6  -0.417596D+01  0.754537D+01 -0.761712D+00  0.907990D+01  0.103872D+01
                46            47            48            49            50 
      1  -0.135498D+02  0.203794D+01  0.621297D+01 -0.939052D+01 -0.182734D+01
      2   0.719465D+01 -0.877890D+01 -0.202849D+01 -0.925149D+00 -0.817672D+01
      3   0.635511D+01  0.674097D+01 -0.418447D+01  0.103157D+02  0.100041D+02
      4   0.826611D+00 -0.277525D+02 -0.157330D+01 -0.229673D+02 -0.501716D+01
      5   0.753845D+00 -0.116764D+01 -0.157583D+02  0.224770D+01  0.117377D+01
      6  -0.420329D+00 -0.336599D+01 -0.219798D+01  0.831821D+00  0.189176D+01
                51            52            53            54            55 
      1  -0.177780D+01  0.540325D+01 -0.225527D+01  0.137421D+02 -0.423079D+01
      2  -0.156684D+01  0.195304D+01  0.989618D+01  0.131554D+02 -0.403908D+01
      3   0.334464D+01 -0.735629D+01 -0.764090D+01 -0.268975D+02  0.826987D+01
      4   0.246926D+01  0.301910D+01  0.341514D+01  0.300934D+00  0.247759D+02
      5   0.722943D+01 -0.498818D+01 -0.136922D+01 -0.361015D+02 -0.308416D+01
      6  -0.346936D+01 -0.510256D+00 -0.215269D+01 -0.292962D+02  0.776676D+01
                56            57            58            59            60 
      1   0.119388D+01 -0.289361D+01  0.384353D+01 -0.386908D+02 -0.715695D+01
      2   0.449965D+01  0.102287D+01 -0.200993D+01  0.587481D+02  0.504385D+01
      3  -0.569353D+01  0.187074D+01 -0.183360D+01 -0.200573D+02  0.211310D+01
      4  -0.420669D+01  0.678481D+01  0.405069D+01 -0.171026D+02 -0.448469D+01
      5   0.126842D+01  0.521960D+01  0.202590D+01 -0.322272D+01 -0.132859D+01
      6  -0.256375D+01  0.262916D+01 -0.311022D+01  0.125696D+02  0.146079D+02
                61            62            63            64            65 
      1  -0.226944D+01 -0.105370D+02 -0.114692D+02  0.513456D-01  0.779807D+00
      2  -0.184183D+01  0.178063D+02  0.322459D+01 -0.375141D+01 -0.108148D+01
      3   0.411127D+01 -0.726936D+01  0.824462D+01  0.370006D+01  0.301675D+00
      4   0.124086D+02 -0.111883D+02 -0.257962D+01  0.103623D+01  0.255505D+01
      5   0.506817D+01 -0.438095D+01 -0.272993D+01  0.125752D+01 -0.928310D+00
      6  -0.544279D+00  0.170422D+02  0.675717D+01 -0.346607D+01 -0.662925D+00
                66            67            68            69            70 
      1   0.202958D+01  0.641768D+00 -0.493768D+01  0.310141D+01  0.235317D+01
      2  -0.665910D+00 -0.944104D+00  0.362884D+01 -0.360973D+01 -0.522161D+00
      3  -0.136367D+01  0.302336D+00  0.130885D+01  0.508327D+00 -0.183101D+01
      4  -0.288891D+01  0.238233D+01 -0.164281D+01  0.137532D+01 -0.408415D+01
      5   0.754200D+01  0.713194D-01  0.123886D+01 -0.134931D+00  0.481019D+01
      6   0.123369D+01 -0.257852D+00 -0.360731D+01  0.791823D+01 -0.239056D+00
                71            72            73            74            75 
      1   0.565844D+01 -0.195384D+02  0.303463D+02 -0.250069D+02  0.496539D+01
      2  -0.532814D+01 -0.152358D+02 -0.168168D+02  0.124103D+02 -0.662793D+01
      3  -0.330296D+00  0.347742D+02 -0.135294D+02  0.125967D+02  0.166254D+01
      4   0.336022D+01 -0.634498D+00 -0.316995D+02  0.735778D+01 -0.560296D+00
      5  -0.134896D+01  0.127459D+02  0.108927D+02 -0.264160D+00  0.983550D+01
      6   0.762345D+01 -0.275697D+02 -0.294818D+01  0.107453D+01 -0.302247D+01
                76            77            78            79            80 
      1  -0.465724D+02 -0.800216D+01  0.131219D+00  0.201766D+02  0.186882D-01
      2   0.262886D+02  0.100055D+02  0.888130D+00 -0.128057D+02  0.406898D-01
      3   0.202839D+02 -0.200329D+01 -0.101935D+01 -0.737097D+01 -0.593780D-01
      4   0.725770D+01 -0.233637D+02  0.589608D+01 -0.389028D+01  0.837288D+01
      5  -0.289155D+01  0.612977D+01 -0.663011D+01  0.173554D+02 -0.421085D+01
      6   0.425457D+00 -0.216489D+01  0.736295D+01 -0.265393D+01  0.547804D+01
                81            82            83            84            85 
      1   0.300767D+01  0.336373D+01 -0.137316D+01 -0.465317D+01 -0.934102D+00
      2  -0.100481D+02 -0.493686D+01  0.616913D+00  0.289269D+01  0.396474D+00
      3   0.704045D+01  0.157312D+01  0.756251D+00  0.176048D+01  0.537628D+00
      4  -0.444327D+01 -0.132028D+01  0.127007D+01  0.238691D+00  0.146978D+01
      5   0.597135D+01 -0.450487D+01 -0.406550D+00  0.787921D+01 -0.607422D+00
      6  -0.107871D+01  0.229911D+00  0.890642D-01  0.281395D+00 -0.106541D+01
                86            87            88            89            90 
      1  -0.427531D+01  0.337598D+00 -0.791121D+01  0.124306D+00 -0.165478D+02
      2   0.316606D+00  0.911349D+00  0.643662D+01  0.609474D+00 -0.186304D+02
      3   0.395871D+01 -0.124895D+01  0.147459D+01 -0.733781D+00  0.351783D+02
      4   0.195918D+01 -0.462548D+01  0.145567D+00 -0.567544D+01  0.135109D+01
      5  -0.472180D+01  0.248044D+01  0.842981D+01  0.163065D+01 -0.363973D+02
      6  -0.181436D+00  0.903963D+01 -0.934631D-01  0.532508D+01  0.153764D+01
                91            92            93            94            95 
      1   0.347551D+00 -0.446299D+00  0.226358D+01 -0.391869D+00 -0.240450D+01
      2  -0.319267D+01  0.895915D+00 -0.657018D+00  0.753564D+00 -0.934998D+00
      3   0.284512D+01 -0.449617D+00 -0.160656D+01 -0.361695D+00  0.333949D+01
      4  -0.112301D+00  0.288098D+01  0.154122D+01  0.351266D+01  0.183711D+00
      5   0.177862D+01 -0.847816D-01  0.671206D+01 -0.433898D+00  0.133539D+01
      6   0.175798D+01 -0.303346D+00 -0.830057D+00  0.169099D+00  0.136705D+01
                96            97            98            99           100 
      1  -0.740015D+00  0.273449D+01 -0.204161D+01 -0.199146D+02  0.292088D+02
      2   0.263522D+01 -0.193484D+01  0.351205D+01 -0.185160D+02 -0.121433D+02
      3  -0.189521D+01 -0.799658D+00 -0.147043D+01  0.384306D+02 -0.170655D+02
      4   0.164263D+01  0.296790D+01  0.323611D+01  0.337878D+00  0.255200D+02
      5  -0.985680D+00  0.570095D+01  0.321158D+00  0.138809D+02 -0.387136D+01
      6   0.722268D+01  0.515368D+00  0.523118D+01  0.158348D+02 -0.282631D+01
               101           102           103           104           105 
      1  -0.535413D+01 -0.166220D+01 -0.128180D+01  0.180944D+02  0.566925D+01
      2   0.149681D+02  0.398605D+01  0.704036D+01 -0.181910D+02 -0.478842D+01
      3  -0.961399D+01 -0.232385D+01 -0.575857D+01  0.965341D-01 -0.880825D+00
      4   0.269873D+02 -0.181934D+01  0.224109D+02 -0.182914D+00 -0.296207D+01
      5  -0.121765D+00  0.123412D+02 -0.548272D+00 -0.503614D+01  0.145260D+01
      6   0.181139D+00  0.423742D+01  0.186495D+00 -0.718346D+01  0.732784D+01
               106           107           108           109           110 
      1  -0.656121D+01  0.649968D+01 -0.215545D+01 -0.144477D+02 -0.121827D+02
      2   0.283330D+01 -0.103961D+02 -0.483599D+01  0.111431D+02  0.488347D+01
      3   0.372791D+01  0.389644D+01  0.699145D+01  0.330454D+01  0.729920D+01
      4  -0.694866D+01 -0.880707D+01  0.512860D+01 -0.148392D+02  0.171270D+01
      5   0.103651D+02  0.325404D+01 -0.237785D+01  0.140596D+02 -0.305302D+01
      6   0.595505D+01  0.739205D+01 -0.367439D+01 -0.824328D+01  0.505973D+01
               111           112           113           114           115 
      1   0.303467D+01 -0.331690D+02  0.145548D+02  0.233756D+01  0.243862D+02
      2  -0.592585D+01  0.251322D+02 -0.363252D+02 -0.847086D+01 -0.105413D+02
      3   0.289118D+01  0.803682D+01  0.217704D+02  0.613330D+01 -0.138448D+02
      4  -0.667628D+01 -0.808701D+01  0.415253D+02  0.676653D+01 -0.210908D+01
      5  -0.306986D+01  0.248712D+01  0.692930D+01 -0.736393D+01 -0.319498D+01
      6  -0.527941D+01  0.453819D+00 -0.391332D+01 -0.104229D+00  0.922393D+00
               116           117           118           119           120 
      1   0.180235D+01  0.193528D+02  0.323225D+01 -0.202976D+01 -0.242626D+01
      2  -0.603031D+01  0.891759D+01 -0.464589D+01  0.120309D+01  0.185255D+01
      3   0.422796D+01 -0.282704D+02  0.141364D+01  0.826672D+00  0.573717D+00
      4   0.969322D+01  0.642507D+01 -0.271870D+01  0.306961D+01  0.930803D+00
      5   0.608980D+01 -0.483213D+02 -0.315473D+01 -0.479615D+00  0.102282D+02
      6  -0.379521D+01  0.220311D+02  0.122292D+01  0.252988D+00 -0.102333D+01
               121           122           123           124           125 
      1  -0.163051D+01 -0.445365D+01 -0.874738D+00 -0.567271D+01 -0.985799D+00
      2   0.534423D+00  0.142234D+01  0.141045D+01  0.741592D+01  0.836341D+00
      3   0.109609D+01  0.303131D+01 -0.535713D+00 -0.174321D+01  0.149458D+00
      4   0.346994D+01  0.582234D+00 -0.219745D+01  0.356522D+01 -0.302838D+01
      5   0.157141D-02 -0.313429D+01  0.822982D+00  0.878672D+01 -0.117660D+01
      6  -0.539614D+00  0.161126D+01  0.839888D+01 -0.148441D+01  0.596051D+01
               126           127           128           129           130 
      1  -0.194113D+02  0.222092D+02  0.285417D+01  0.125770D+00  0.630036D+01
      2  -0.169688D+02 -0.175959D+01  0.107863D+02  0.151673D+01  0.750160D+01
      3   0.363800D+02 -0.204496D+02 -0.136405D+02 -0.164250D+01 -0.138020D+02
      4  -0.167117D+01  0.288894D+02  0.344393D+02 -0.810110D+00  0.324467D+02
      5  -0.257535D+02 -0.281657D+01 -0.930807D+00  0.103615D+02  0.277264D+00
      6   0.121635D+02 -0.526200D+00 -0.112487D+01  0.461775D+01  0.988526D+00
               131           132           133           134           135 
      1  -0.887528D+01 -0.592961D+00 -0.615092D+00 -0.446436D+01  0.544700D+01
      2   0.331284D+02  0.234956D+01  0.106214D+01  0.387622D+01 -0.424406D+01
      3  -0.242531D+02 -0.175660D+01 -0.447045D+00  0.588140D+00 -0.120294D+01
      4   0.346791D+02  0.191268D+01  0.400706D+01  0.616783D+01 -0.216660D+01
      5   0.152658D+01 -0.209746D+01  0.612294D+01 -0.285595D+01  0.236611D+02
      6   0.133781D+01  0.478156D+01  0.114156D+01  0.471942D-01  0.279548D+02
               136           137           138           139           140 
      1   0.420411D+00  0.707346D+00  0.377433D+01 -0.363362D+00 -0.339836D+01
      2  -0.322832D+01  0.591550D-02 -0.167178D+01  0.131790D+01  0.146340D+01
      3   0.280791D+01 -0.713262D+00 -0.210255D+01 -0.954533D+00  0.193496D+01
      4   0.169938D+01  0.483240D+01  0.339795D+01  0.494490D+01  0.170358D+01
      5   0.412089D+01  0.700306D+00  0.889975D+01 -0.309542D+00  0.277211D+01
      6   0.379298D+01 -0.786020D-01  0.582632D+00  0.117710D+00  0.362252D+01
               141           142           143           144           145 
      1  -0.222437D+01  0.323678D+01 -0.439214D+01 -0.202934D+02  0.123214D+02
      2   0.349461D+01 -0.398103D+01  0.234582D+01 -0.167675D+02  0.613701D+01
      3  -0.127025D+01  0.744249D+00  0.204632D+01  0.370609D+02 -0.184584D+02
      4   0.218000D+01  0.646880D+01  0.611276D+01  0.392993D+01 -0.366931D+02
      5  -0.978663D+00  0.957138D+01  0.396386D+01  0.279895D+02  0.315960D+00
      6   0.803852D+01  0.361264D+01  0.919815D+01  0.276419D+02 -0.383704D+01
               146           147           148           149           150 
      1   0.162213D+01  0.229141D+01 -0.137235D+01 -0.168997D+01  0.206734D+00
      2  -0.161179D+02  0.454566D+00 -0.710055D+01  0.116349D+02 -0.172509D+01
      3   0.144957D+02 -0.274598D+01  0.847289D+01 -0.994497D+01  0.151836D+01
      4   0.258637D+02 -0.366144D+01  0.178159D+02 -0.145141D+02  0.167357D+01
      5   0.322662D+00  0.371783D+01  0.529096D+00  0.466159D+00 -0.269466D+01
      6   0.103385D+01 -0.707439D+01  0.102452D+01 -0.101245D+01  0.369815D+01
               151           152           153           154           155 
      1   0.220451D+01  0.792587D+00  0.231560D+00  0.512689D+02  0.173655D+02
      2   0.114324D+01 -0.378050D+01  0.123261D+01 -0.281441D+02 -0.986108D+01
      3  -0.334774D+01  0.298791D+01 -0.146417D+01 -0.231249D+02 -0.750447D+01
      4  -0.791803D+01  0.527755D+01 -0.436582D+01  0.135818D+02  0.145299D+02
      5   0.341906D+01 -0.192222D+01  0.130977D+01  0.108259D+01  0.110815D+00
      6  -0.415453D+01  0.404809D+01 -0.890796D+00  0.138540D+01  0.133030D+01
               156           157           158           159           160 
      1  -0.122410D+01  0.360477D+02  0.136484D+02  0.468339D-02 -0.600891D+01
      2  -0.276958D+00 -0.206184D+02 -0.613070D+01 -0.610656D+00  0.350045D+01
      3   0.150106D+01 -0.154292D+02 -0.751768D+01  0.605973D+00  0.250846D+01
      4  -0.299150D+00  0.134872D+02  0.163172D+02 -0.148938D+01 -0.161955D+01
      5   0.809055D+01  0.110038D+01 -0.148043D+01  0.554757D+01  0.621278D+01
      6   0.131246D+00  0.139463D+01  0.100226D+01 -0.292190D+00  0.367221D+00
               161           162           163           164           165 
      1  -0.176447D+01  0.427853D+01 -0.163255D+01  0.571933D+01  0.102437D+01
      2   0.870793D+00 -0.290788D+01  0.311937D+01 -0.705405D+01 -0.101540D+01
      3   0.893678D+00 -0.137065D+01 -0.148683D+01  0.133472D+01 -0.896814D-02
      4  -0.237413D+01  0.149504D+01 -0.182027D+01 -0.416993D+00  0.552108D+00
      5   0.200826D+01  0.242985D+00  0.284325D+00 -0.486669D+00 -0.579497D+00
      6   0.109888D+01 -0.748406D+00  0.122432D+01 -0.798431D+00  0.739014D-01
               166           167           168           169           170 
      1   0.660355D+01 -0.293238D+02 -0.217875D+01  0.162041D+01 -0.554537D+01
      2  -0.217326D+01  0.484229D+02  0.379448D+01 -0.102918D+01  0.753061D+01
      3  -0.443029D+01 -0.190990D+02 -0.161573D+01 -0.591235D+00 -0.198524D+01
      4   0.825685D+01  0.268064D+02  0.166898D+01  0.112085D+01  0.411593D+01
      5  -0.272676D+00  0.298139D+01  0.418201D+01  0.915395D+00  0.241985D+01
      6  -0.243066D+00  0.377379D+01  0.635907D+01  0.294370D+00  0.568779D+01
               171           172           173           174           175 
      1  -0.267567D+01  0.840851D+02  0.318925D+01 -0.586020D+01  0.376301D+01
      2   0.360927D+01 -0.490934D+02 -0.333162D+00  0.788502D+01 -0.411352D+01
      3  -0.933598D+00 -0.349917D+02 -0.285609D+01 -0.202482D+01  0.350510D+00
      4   0.212198D+01 -0.419440D+01  0.149013D+02  0.305521D+01  0.233786D+02
      5   0.696175D-01 -0.130927D+02  0.132219D+01  0.163114D+02 -0.393404D-01
      6   0.155853D+01  0.362121D+01 -0.223387D+01  0.228421D+01 -0.125732D+01
               176           177           178           179           180 
      1   0.126428D+02  0.339099D+01 -0.238287D+02  0.808015D-02  0.671678D+01
      2  -0.601254D+00  0.119734D+01  0.146296D+02 -0.665377D+00 -0.139446D+02
      3  -0.120416D+02 -0.458833D+01  0.919908D+01  0.657297D+00  0.722781D+01
      4  -0.335198D+02 -0.425498D+01  0.140377D+01 -0.557419D+01 -0.155813D+01
      5  -0.480292D+01 -0.375449D+01  0.226355D+02  0.764876D+00 -0.786569D+01
      6   0.124707D+01  0.962403D+01 -0.243370D+01  0.523160D+01 -0.103659D+01
               181           182           183           184           185 
      1   0.341867D+01 -0.646251D+01 -0.314903D+01 -0.662441D+01 -0.214274D+02
      2   0.311126D+01  0.135198D+01  0.102206D+01 -0.431779D+01  0.505571D+02
      3  -0.652993D+01  0.511053D+01  0.212697D+01  0.109422D+02 -0.291297D+02
      4  -0.891927D+01  0.117164D+02  0.174525D+01  0.212839D+02 -0.560369D+02
      5  -0.277288D+01  0.498653D+00  0.307673D+01  0.291059D+00 -0.381525D+01
      6   0.188516D+01 -0.567646D+00 -0.117981D+01  0.143755D+00  0.211707D+01
               186           187           188           189           190 
      1  -0.200680D+01 -0.568718D+01 -0.380544D+01 -0.400304D+01  0.127056D+01
      2   0.470352D+01  0.130160D+01  0.789221D+01  0.314620D+01 -0.450553D+01
      3  -0.269672D+01  0.438558D+01 -0.408677D+01  0.856838D+00  0.323498D+01
      4  -0.432568D+01  0.492776D+01 -0.100207D+02 -0.684586D+01  0.103452D+01
      5  -0.593691D+01  0.371110D+01 -0.687302D+01  0.137805D+01  0.623289D+01
      6   0.753054D+01 -0.196747D+01  0.807009D+01  0.181832D+01 -0.207842D+01
               191           192           193           194           195 
      1   0.147161D+01  0.803740D+01  0.575358D+01 -0.492140D+01  0.845000D+00
      2  -0.137673D+01 -0.398680D+01 -0.441832D+01  0.407131D+01 -0.246085D+01
      3  -0.948792D-01 -0.405061D+01 -0.133526D+01  0.850087D+00  0.161585D+01
      4   0.178961D+01 -0.233233D+01  0.128747D+01 -0.518165D+01  0.460171D+01
      5  -0.579220D+00  0.706847D+01 -0.250616D-01  0.494659D+01  0.370806D+01
      6  -0.798156D+00  0.787051D+00  0.299957D+00 -0.163313D+01  0.462196D+01
               196           197           198           199           200 
      1   0.106049D+02  0.407968D+01 -0.229929D+02  0.855179D+00  0.169109D+01
      2  -0.780933D+01 -0.243585D+01 -0.158639D+02 -0.877546D+00 -0.510423D+00
      3  -0.279559D+01 -0.164383D+01  0.388568D+02  0.223667D-01 -0.118066D+01
      4  -0.481995D+01  0.737872D+01 -0.706459D+01  0.218364D+01  0.133428D+01
      5   0.113373D+02 -0.700630D+01  0.530368D+02 -0.132373D+01 -0.273628D+00
      6  -0.267815D+01  0.939361D+01 -0.239805D+02 -0.207401D+01  0.964767D+00
               201           202           203           204           205 
      1  -0.304673D+01  0.177656D+01 -0.471127D+01  0.250587D+01 -0.559873D+01
      2   0.137283D+01  0.896387D-01  0.703571D+01 -0.413883D+01  0.162382D+01
      3   0.167390D+01 -0.186620D+01 -0.232444D+01  0.163296D+01  0.397491D+01
      4  -0.184737D+01  0.333059D+01  0.574697D+01 -0.388296D+01 -0.108107D+02
      5  -0.666439D-01 -0.139018D+01 -0.332781D+01  0.603072D+01  0.646629D+01
      6  -0.210477D+01 -0.137927D+01 -0.548522D+01  0.846297D+01  0.551480D+01
               206           207           208           209           210 
      1   0.821573D+01 -0.112777D+02 -0.305827D+00  0.687510D+01  0.105502D+01
      2  -0.106956D+02  0.276577D+01  0.187244D+01 -0.268264D+01 -0.229183D+00
      3   0.247988D+01  0.851194D+01 -0.156662D+01 -0.419246D+01 -0.825841D+00
      4  -0.134792D+02  0.110820D+02  0.679440D+01 -0.677005D+00 -0.403737D+00
      5   0.105890D+02 -0.269133D+02  0.403471D+00 -0.848129D+00  0.130332D+01
      6   0.153859D+02 -0.327529D+02 -0.126903D+00 -0.341207D+00  0.182597D+01
               211           212           213           214           215 
      1   0.296969D+02 -0.281475D+01 -0.212994D+01  0.154557D+01 -0.872807D+00
      2  -0.173953D+02  0.194799D+01  0.209447D+01 -0.928925D+00  0.491313D+00
      3  -0.123015D+02  0.866758D+00  0.354696D-01 -0.616649D+00  0.381495D+00
      4  -0.345690D+01  0.411782D+02 -0.176770D+00 -0.857233D+00  0.144769D+01
      5  -0.263965D+01  0.432185D+00  0.101214D+02  0.297645D+01  0.203092D+01
      6   0.868770D+00 -0.124953D+01 -0.237658D+01 -0.939411D-01  0.194286D+01
               216 
      1   0.124367D+01
      2  -0.100248D+01
      3  -0.241184D+00
      4   0.134473D+01
      5  -0.206634D+01
      6   0.224390D+00
 Leave Link  716 at Wed Mar 16 20:08:55 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.127546D+03  0.142850D+01 -0.422172D+00
      2   0.142850D+01  0.115936D+03 -0.189591D+01
      3  -0.422172D+00 -0.189591D+01  0.993998D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.155917D+01 -0.492919D+01  0.609668D+01
      2  -0.470788D+01 -0.723900D+00  0.565597D+01
      3  -0.787887D+01 -0.115446D+02  0.176921D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.329109D+02 -0.101865D+02 -0.198413D+02
      2  -0.267848D+02  0.106916D+02  0.151691D+02
      3  -0.612612D+01 -0.505094D+00  0.467221D+01
      4  -0.214647D+02 -0.864348D+01 -0.264846D+01
      5  -0.119482D+02 -0.427588D+01  0.101783D+02
      6  -0.906535D+00  0.140120D+02 -0.115448D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.342768D+01  0.261132D+01 -0.993448D+00  0.191978D+01  0.278491D+01
      2   0.261132D+01  0.270886D+01  0.310570D+00  0.278491D+01 -0.486495D+01
      3  -0.993448D+00  0.310570D+00 -0.949421D+00  0.398065D+00 -0.144389D+01
                 6             7             8             9            10 
      1   0.398065D+00 -0.141677D+01  0.609529D+00 -0.526259D+00  0.432574D+01
      2  -0.144389D+01  0.609529D+00 -0.283111D+01 -0.103041D+01 -0.244928D+01
      3   0.121948D+01 -0.526259D+00 -0.103041D+01  0.121035D+02  0.148254D+01
                11            12            13            14            15 
      1  -0.244928D+01  0.148254D+01 -0.307854D+01 -0.261729D+01 -0.627411D+00
      2  -0.204856D+01 -0.362242D+00 -0.261729D+01  0.251731D+01  0.100611D+01
      3  -0.362242D+00 -0.175440D+01 -0.627411D+00  0.100611D+01  0.178907D+01
                16            17            18            19            20 
      1   0.259477D+01 -0.100416D+01  0.619633D+00  0.180011D+01 -0.295857D+01
      2  -0.100416D+01  0.158861D+01  0.598920D+00 -0.295857D+01 -0.239459D+01
      3   0.619633D+00  0.598920D+00 -0.123358D+02  0.107082D+01  0.190434D+00
                21            22            23            24            25 
      1   0.107082D+01 -0.433338D+01 -0.389601D+01  0.102514D+00  0.232354D+01
      2   0.190434D+00 -0.389601D+01  0.305930D+01  0.113425D+01  0.319279D+00
      3   0.142451D+01  0.102514D+00  0.113425D+01  0.200132D+01  0.151137D+00
                26            27            28            29            30 
      1   0.319279D+00  0.151137D+00  0.548697D+00  0.439416D+01 -0.129218D+01
      2   0.243898D+01  0.652221D+00  0.439416D+01  0.221947D+01  0.199806D-02
      3   0.652221D+00 -0.115807D+02 -0.129218D+01  0.199806D-02 -0.143272D+01
                31            32            33            34            35 
      1   0.453407D+01  0.362227D+01  0.125253D+00 -0.164184D+01  0.288442D+00
      2   0.362227D+01 -0.433760D+01 -0.115486D+01  0.288442D+00 -0.243125D+01
      3   0.125253D+00 -0.115486D+01 -0.111868D+01 -0.857558D+00  0.381992D-01
                36            37            38            39            40 
      1  -0.857558D+00  0.218020D+01 -0.402178D+01  0.629440D+00 -0.516262D+01
      2   0.381992D-01 -0.402178D+01 -0.595971D+00 -0.708755D+00 -0.128499D+01
      3   0.119646D+02  0.629440D+00 -0.708755D+00  0.129927D+00 -0.147898D+00
                41            42            43            44            45 
      1  -0.128499D+01 -0.147898D+00  0.356960D+01  0.222407D+00  0.233040D+00
      2  -0.400956D+01  0.115309D+01  0.222407D+00  0.169204D+01 -0.104374D+01
      3   0.115309D+01  0.109566D+01  0.233040D+00 -0.104374D+01 -0.188491D+01
                46            47            48            49            50 
      1  -0.478884D+01  0.118056D+01 -0.303067D+00  0.367059D+01  0.269369D+01
      2   0.118056D+01  0.234007D+01  0.127003D+01  0.269369D+01 -0.210216D+01
      3  -0.303067D+00  0.127003D+01 -0.691715D+00  0.107027D+00 -0.817732D+00
                51            52            53            54            55 
      1   0.107027D+00 -0.213289D+01  0.377684D+00  0.434838D+00  0.525642D+01
      2  -0.817732D+00  0.377684D+00 -0.234033D+01  0.380337D+00 -0.104070D+01
      3  -0.333877D+01  0.434838D+00  0.380337D+00  0.120260D+02  0.167982D+01
                56            57            58            59            60 
      1  -0.104070D+01  0.167982D+01 -0.493835D+00 -0.110646D+00 -0.340605D+00
      2   0.206762D+01 -0.251936D+00 -0.110646D+00  0.970433D+01  0.161950D+01
      3  -0.251936D+00  0.131709D+01 -0.340605D+00  0.161950D+01 -0.903907D+00
                61            62            63            64            65 
      1   0.249625D+01 -0.117831D+01 -0.178297D-01  0.572455D+00 -0.441496D+00
      2  -0.117831D+01  0.394949D+01  0.198929D+01 -0.441496D+00 -0.437190D+00
      3  -0.178297D-01  0.198929D+01 -0.216526D-01 -0.106627D+01 -0.344370D-01
                66            67            68            69            70 
      1  -0.106627D+01 -0.229667D+00 -0.411246D+00 -0.547995D-02 -0.205124D+01
      2  -0.344370D-01 -0.411246D+00  0.939614D+00 -0.120178D+01  0.113697D+00
      3   0.332321D+00 -0.547995D-02 -0.120178D+01  0.503524D+00 -0.127313D-02
                71            72            73            74            75 
      1   0.113697D+00 -0.127313D-02 -0.503785D+01  0.418486D+01 -0.133648D+01
      2  -0.218300D+01  0.105924D+01  0.418486D+01  0.119324D+01 -0.168169D+00
      3   0.105924D+01 -0.986706D+01 -0.133648D+01 -0.168169D+00  0.174936D+01
                76            77            78            79            80 
      1   0.772438D+01 -0.435258D+00  0.302041D+00 -0.377511D+01  0.308256D+00
      2  -0.435258D+00  0.411238D+01 -0.116662D+01  0.308256D+00 -0.140377D+01
      3   0.302041D+00 -0.116662D+01  0.617866D+00 -0.178285D+01  0.493295D+00
                81            82            83            84            85 
      1  -0.178285D+01 -0.830247D+00  0.455570D+00  0.118193D+01  0.374672D+00
      2   0.493295D+00  0.455570D+00  0.345139D+00  0.677868D-01  0.346709D+00
      3   0.394286D-01  0.118193D+01  0.677868D-01 -0.361426D+00  0.850069D-01
                86            87            88            89            90 
      1   0.346709D+00  0.850069D-01  0.230273D+01  0.151450D+00 -0.931481D+00
      2  -0.575616D+00  0.115510D+01  0.151450D+00  0.184608D+01 -0.318914D+00
      3   0.115510D+01 -0.680801D+00 -0.931481D+00 -0.318914D+00  0.100088D+02
                91            92            93            94            95 
      1  -0.345689D+00  0.282003D+00  0.116676D+01  0.434378D+00  0.568248D+00
      2   0.282003D+00  0.576669D+00  0.456318D-01  0.568248D+00 -0.495722D+00
      3   0.116676D+01  0.456318D-01 -0.505615D-01  0.622797D-01  0.998042D+00
                96            97            98            99           100 
      1   0.622797D-01  0.214291D+01 -0.139172D-01  0.332627D+00  0.728049D+01
      2   0.998042D+00 -0.139172D-01  0.200670D+01  0.158937D+00  0.263478D+01
      3  -0.416411D+00  0.332627D+00  0.158937D+00  0.972969D+01 -0.928328D+00
               101           102           103           104           105 
      1   0.263478D+01 -0.928328D+00  0.984110D+00  0.404971D+01  0.259660D+00
      2   0.438479D+01  0.266345D+00  0.404971D+01 -0.356758D+01 -0.126305D+01
      3   0.266345D+00 -0.583071D+00  0.259660D+00 -0.126305D+01 -0.163258D+01
               106           107           108           109           110 
      1  -0.225710D+01 -0.533999D+00  0.133968D+01  0.107124D+01 -0.372893D+01
      2  -0.533999D+00 -0.272494D+01  0.722750D+00 -0.372893D+01  0.924349D+00
      3   0.133968D+01  0.722750D+00  0.137562D+00  0.220127D+01 -0.579199D+00
               111           112           113           114           115 
      1   0.220127D+01 -0.385861D+01 -0.238331D+01  0.946273D-01  0.385901D+01
      2  -0.579199D+00 -0.238331D+01  0.906803D+01  0.168209D+01  0.335612D-01
      3   0.179511D+01  0.946273D-01  0.168209D+01 -0.757654D+00 -0.364588D+00
               116           117           118           119           120 
      1   0.335612D-01 -0.364588D+00  0.104195D+01 -0.702885D+00 -0.126052D+01
      2   0.192614D+01  0.128682D+01 -0.702885D+00 -0.121436D+00 -0.806592D-01
      3   0.128682D+01 -0.108193D+02 -0.126052D+01 -0.806592D-01  0.981963D+00
               121           122           123           124           125 
      1  -0.786196D+00 -0.152605D+00 -0.111998D+00 -0.287444D+01 -0.185367D+00
      2  -0.152605D+00  0.307048D+00 -0.109600D+01 -0.185367D+00 -0.157867D+01
      3  -0.111998D+00 -0.109600D+01 -0.112701D+00  0.129896D+01 -0.534795D+00
               126           127           128           129           130 
      1   0.129896D+01 -0.511103D+01 -0.312478D+01  0.264844D+00 -0.321443D+01
      2  -0.534795D+00 -0.312478D+01 -0.325785D+01 -0.369077D-01 -0.343258D+01
      3  -0.989119D+01  0.264844D+00 -0.369077D-01  0.324869D+00 -0.462601D+00
               131           132           133           134           135 
      1  -0.343258D+01 -0.462601D+00 -0.764785D+00 -0.837790D+00 -0.114336D+00
      2  -0.637578D+01 -0.519316D+00 -0.837790D+00 -0.203486D+01  0.103199D+01
      3  -0.519316D+00  0.210970D+01 -0.114336D+00  0.103199D+01 -0.687358D+01
               136           137           138           139           140 
      1  -0.281330D-01 -0.450345D+00 -0.139987D+01 -0.566493D+00 -0.690435D+00
      2  -0.450345D+00 -0.533918D+00 -0.145476D+00 -0.690435D+00 -0.325078D+00
      3  -0.139987D+01 -0.145476D+00 -0.273298D+00  0.896971D-01 -0.106820D+01
               141           142           143           144           145 
      1   0.896971D-01 -0.265610D+01 -0.389379D+00 -0.128140D+01 -0.675310D+01
      2  -0.106820D+01 -0.389379D+00 -0.166589D+01 -0.145740D+01  0.358100D+01
      3  -0.159820D+00 -0.128140D+01 -0.145740D+01 -0.102227D+02 -0.669480D+00
               146           147           148           149           150 
      1   0.358100D+01 -0.669480D+00  0.270363D+01 -0.206222D+01  0.136398D+00
      2  -0.441044D+01  0.102434D+00 -0.206222D+01  0.278602D+01 -0.243344D+00
      3   0.102434D+00 -0.151548D+01  0.136398D+00 -0.243344D+00  0.971446D+00
               151           152           153           154           155 
      1  -0.153587D+01  0.720660D+00 -0.680088D+00 -0.762451D+01 -0.245159D+01
      2   0.720660D+00 -0.108943D+01  0.634044D+00 -0.245159D+01 -0.257987D+01
      3  -0.680088D+00  0.634044D+00 -0.131464D+00 -0.301731D-01  0.609312D-01
               156           157           158           159           160 
      1  -0.301731D-01 -0.548462D+01 -0.209576D+01 -0.142162D+00  0.924720D+00
      2   0.609312D-01 -0.209576D+01 -0.299521D+01  0.293262D+00  0.248857D+00
      3  -0.145990D+01 -0.142162D+00  0.293262D+00 -0.903972D+00 -0.759527D+00
               161           162           163           164           165 
      1   0.248857D+00 -0.759527D+00 -0.624036D+00  0.646649D+00  0.235755D+00
      2   0.472134D+00 -0.180386D+00  0.646649D+00 -0.128396D+01 -0.109134D+00
      3  -0.180386D+00 -0.786655D-01  0.235755D+00 -0.109134D+00  0.116883D+00
               166           167           168           169           170 
      1   0.282412D+01  0.553129D+00 -0.166762D+00  0.651523D+00 -0.869061D-01
      2   0.553129D+00  0.989548D+01  0.636004D+00 -0.869061D-01  0.159757D+01
      3  -0.166762D+00  0.636004D+00  0.165082D+01  0.151109D+00  0.812539D+00
               171           172           173           174           175 
      1   0.151109D+00  0.101427D+02  0.114013D+01 -0.166099D+01  0.105472D+00
      2   0.812539D+00  0.114013D+01  0.841305D+00  0.271243D+00  0.326701D+01
      3   0.128259D+00 -0.166099D+01  0.271243D+00 -0.268372D+00  0.206118D+00
               176           177           178           179           180 
      1   0.326701D+01  0.206118D+00 -0.346469D+01 -0.264966D+00  0.209969D+01
      2  -0.600239D+01 -0.621881D+00 -0.264966D+00 -0.692880D+00  0.495111D-01
      3  -0.621881D+00 -0.137281D+01  0.209969D+01  0.495111D-01 -0.474437D+00
               181           182           183           184           185 
      1   0.681134D+00 -0.117196D+01 -0.617156D+00 -0.260943D+01  0.265973D+01
      2  -0.117196D+01  0.620065D+00  0.103986D+00  0.265973D+01 -0.112984D+02
      3  -0.617156D+00  0.103986D+00  0.256811D+00  0.108645D+00 -0.949301D+00
               186           187           188           189           190 
      1   0.108645D+00 -0.138372D+01  0.448092D+00  0.496685D+00  0.182420D-01
      2  -0.949301D+00  0.448092D+00 -0.206185D+01 -0.135743D+01  0.341426D+00
      3  -0.107874D+01  0.496685D+00 -0.135743D+01  0.261861D+00  0.120242D+01
               191           192           193           194           195 
      1   0.341426D+00  0.120242D+01  0.100027D+01  0.243338D+00 -0.126807D-01
      2   0.235545D-01  0.618407D-01  0.243338D+00 -0.963472D+00  0.100153D+01
      3   0.618407D-01 -0.197062D+00 -0.126807D-01  0.100153D+01  0.715642D+00
               196           197           198           199           200 
      1   0.238069D+01 -0.229995D+00  0.107194D+01 -0.457571D+00 -0.234361D+00
      2  -0.229995D+00  0.162531D+01 -0.137227D+01 -0.234361D+00 -0.950390D-01
      3   0.107194D+01 -0.137227D+01  0.108805D+02  0.361718D+00 -0.145980D+00
               201           202           203           204           205 
      1   0.361718D+00 -0.586283D+00 -0.350176D+00  0.298823D+00  0.243705D+01
      2  -0.145980D+00 -0.350176D+00 -0.153788D+01  0.947022D+00  0.111436D+01
      3   0.399972D+00  0.298823D+00  0.947022D+00 -0.163094D+01 -0.125304D+01
               206           207           208           209           210 
      1   0.111436D+01 -0.125304D+01  0.109246D+00  0.132421D+01  0.806375D-01
      2   0.348553D+01 -0.285139D+01  0.132421D+01 -0.486317D+00 -0.130333D+00
      3  -0.285139D+01  0.714148D+01  0.806375D-01 -0.130333D+00  0.708605D+00
               211           212           213           214           215 
      1   0.412861D+01 -0.866217D+00 -0.358558D+00  0.271759D+00 -0.231487D+00
      2  -0.866217D+00  0.706192D+01 -0.800059D-01 -0.231487D+00  0.409390D+00
      3  -0.358558D+00 -0.800059D-01  0.143325D+01  0.340882D+00  0.238628D+00
               216 
      1   0.340882D+00
      2   0.238628D+00
      3  -0.240244D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124907D+01  0.162815D+00 -0.447304D+00 -0.170975D+01  0.231689D+01
      2   0.116513D+01 -0.528395D-01  0.133867D+01  0.971554D+00  0.191999D+01
      3  -0.134799D+01  0.104573D+01 -0.102158D+01  0.615069D+01 -0.133724D+01
                 6             7             8             9            10 
      1   0.125526D+01  0.743097D+00  0.392791D+01 -0.112185D+02 -0.719694D+00
      2   0.870219D-01 -0.269227D+01 -0.669044D-02 -0.707543D+01 -0.278095D+01
      3  -0.129956D+00 -0.933276D+00 -0.223022D+01 -0.125982D+01 -0.344073D+01
                11            12            13            14            15 
      1  -0.257489D+01 -0.843464D+00 -0.340084D+00 -0.158294D+01 -0.209590D+01
      2  -0.343112D+00  0.320213D+00  0.327932D+00 -0.155658D+01 -0.258536D+01
      3  -0.545280D+01 -0.211255D+00  0.858179D+00  0.307110D+01  0.269438D+01
                16            17            18            19            20 
      1  -0.120283D+01  0.248978D+01 -0.104550D+01 -0.197503D+01  0.107723D+00
      2  -0.368148D+01 -0.133952D+01  0.165644D+02 -0.316460D+00  0.133600D+01
      3  -0.110319D+01  0.251593D+01  0.113395D+01  0.255837D+01 -0.429206D+01
                21            22            23            24            25 
      1   0.802331D+00 -0.127626D+01 -0.147968D+01 -0.707803D+00  0.499974D+00
      2  -0.206349D+00  0.388023D+00  0.115657D+01 -0.200114D+00 -0.405556D+01
      3   0.203398D+00  0.198629D+01 -0.430181D+01 -0.175959D+01  0.236091D+01
                26            27            28            29            30 
      1   0.203161D+01  0.692398D+01 -0.204765D+01  0.826041D+00  0.128932D+01
      2   0.467635D+00 -0.638937D+01 -0.203611D+01  0.117918D+01 -0.369420D+01
      3  -0.108790D+01 -0.507872D+00 -0.767038D+01 -0.926114D+01  0.327583D+00
                31            32            33            34            35 
      1  -0.635665D+00  0.122785D+00  0.400555D-01  0.777639D-01  0.326787D+01
      2  -0.680065D+00 -0.117062D+01 -0.363556D+01 -0.558413D+01  0.673482D+00
      3  -0.556222D+01  0.691286D+01  0.213887D+01  0.685497D+00  0.104596D+01
                36            37            38            39            40 
      1   0.518189D+01  0.233450D+01 -0.282866D+00 -0.136408D+01  0.449287D+00
      2   0.177092D+02  0.944409D+00  0.266843D+00  0.135111D+02 -0.103428D+00
      3   0.657751D+00 -0.340803D+01 -0.186244D+01 -0.170443D+01  0.204277D+02
                41            42            43            44            45 
      1   0.849095D+00 -0.549065D+01  0.205859D+01  0.291681D+01 -0.196990D-01
      2  -0.150556D+00  0.702487D+00 -0.791400D+01 -0.154351D+01  0.141859D+01
      3   0.243664D+01  0.613096D-01 -0.523573D+01 -0.539765D+00 -0.368963D+00
                46            47            48            49            50 
      1  -0.554319D+00  0.353442D+00 -0.739766D+00 -0.100119D+01 -0.212915D+00
      2   0.142244D+01  0.220383D+00 -0.587917D+01 -0.188436D+00  0.221016D+01
      3   0.856882D+01  0.550416D+01  0.986966D+00 -0.605131D+00 -0.213852D+01
                51            52            53            54            55 
      1  -0.702579D+00 -0.192490D+01  0.287029D+01  0.111819D+02 -0.470785D+01
      2   0.476980D+01 -0.445360D+01 -0.165378D+01 -0.183847D+02 -0.402509D+01
      3  -0.206570D+01  0.226061D+01 -0.274406D+01 -0.299044D+00  0.173790D+02
                56            57            58            59            60 
      1   0.180457D+01 -0.202744D+01  0.234943D+01 -0.430591D+01 -0.692823D+01
      2   0.318092D+01  0.125052D+01  0.843664D+00 -0.239219D+01 -0.212710D+00
      3  -0.615157D+01  0.293161D+01  0.454017D+01  0.101906D+02  0.145964D+00
                61            62            63            64            65 
      1  -0.103488D+01  0.141331D+01 -0.313677D+01  0.126574D+01 -0.127607D-01
      2  -0.511373D+01 -0.271705D+00 -0.105060D+01  0.989623D+00 -0.528105D+00
      3   0.684742D+01  0.197394D+01  0.182922D+01  0.356375D+00 -0.188488D+01
                66            67            68            69            70 
      1  -0.507236D+00  0.121668D+00  0.146028D+01 -0.853493D+00 -0.292415D+00
      2   0.121810D+01 -0.347839D+00  0.455863D+00 -0.249360D-01 -0.458520D+01
      3  -0.116457D+01  0.652040D+00  0.179745D+00 -0.792295D+00 -0.271492D+01
                71            72            73            74            75 
      1   0.417300D+01  0.112054D+02 -0.119133D+01  0.979607D-01  0.165305D+01
      2  -0.483440D+00  0.640890D+01  0.596299D+01  0.159678D+01  0.460942D+01
      3  -0.116482D+01  0.983327D+00  0.127662D+02 -0.385487D+00 -0.384867D+00
                76            77            78            79            80 
      1  -0.234984D+01 -0.658890D+00 -0.303705D+01  0.157274D+01  0.387831D+01
      2   0.145076D+01  0.322357D+01 -0.427233D+01 -0.133013D+01 -0.159762D+01
      3   0.865443D+01  0.184879D+02 -0.220829D+01 -0.229114D+00 -0.589457D+01
                81            82            83            84            85 
      1   0.655412D+00  0.154866D+00  0.332286D+00 -0.245063D-01  0.619583D+00
      2   0.261007D+01 -0.205590D+01 -0.173241D+00  0.104881D+01  0.670421D-01
      3   0.855188D+00  0.836485D+00 -0.446421D+00  0.111934D+00  0.174119D+01
                86            87            88            89            90 
      1  -0.436223D+00 -0.187918D+01  0.307653D+00  0.462536D+01 -0.101490D+01
      2  -0.195771D+01  0.117765D+01 -0.377169D+01  0.434119D+00 -0.156314D+02
      3  -0.616417D+00  0.145078D+01  0.308020D+00  0.329614D+01  0.539546D-01
                91            92            93            94            95 
      1  -0.864163D+00  0.231631D+00  0.522932D+00  0.209665D+00 -0.125648D+01
      2   0.158876D+01  0.184593D+00  0.473733D+00  0.546140D+00  0.205286D+00
      3  -0.359892D+00 -0.115168D+01  0.831059D+00  0.126387D+01  0.264011D+00
                96            97            98            99           100 
      1  -0.814182D+00 -0.449947D+00  0.483778D+01 -0.748835D+01  0.230736D+01
      2  -0.658227D+00 -0.517038D+01  0.371579D+00  0.601346D+01 -0.188940D+01
      3  -0.395607D+00  0.131741D+01 -0.136941D+01 -0.885751D-01  0.101476D+02
               101           102           103           104           105 
      1  -0.256708D+00 -0.244911D+01  0.102624D+01  0.502464D+01 -0.270417D+01
      2  -0.802702D+00  0.623285D+01  0.493066D+00 -0.200118D+01  0.900742D+00
      3  -0.124905D+02 -0.148982D+01 -0.185473D+01  0.154384D+02  0.278694D+01
               106           107           108           109           110 
      1  -0.186418D+01  0.409334D+01  0.186911D+01  0.186668D+01 -0.240486D+00
      2  -0.191516D+01  0.104826D+01 -0.151606D+01  0.318460D+01 -0.586466D+00
      3  -0.483051D+01  0.492617D+01  0.718103D+00  0.402388D+01  0.381204D+01
               111           112           113           114           115 
      1   0.267132D+01 -0.199754D+01  0.885394D+01 -0.123385D+01 -0.170254D+01
      2   0.896128D+00  0.312700D+00  0.401327D+01 -0.367605D+01 -0.477439D+01
      3  -0.124473D+01  0.131337D+02 -0.173936D+02 -0.394574D+01 -0.358170D+01
               116           117           118           119           120 
      1   0.316409D+01 -0.160338D+02 -0.451194D+00  0.674414D-01  0.788557D+00
      2   0.321868D+01 -0.224851D+02 -0.120179D+01 -0.472332D+00  0.250272D+01
      3  -0.482437D+01 -0.281744D+01  0.495182D+00 -0.201914D+00  0.111519D+01
               121           122           123           124           125 
      1  -0.518108D-01 -0.110710D+01 -0.959937D+00  0.418205D+00  0.419470D+01
      2   0.253394D-01 -0.140523D+01  0.149958D-01 -0.419239D+01 -0.563839D+00
      3   0.236255D+01 -0.109926D+01  0.154490D+01  0.241003D+01  0.278364D+01
               126           127           128           129           130 
      1  -0.478803D+01  0.205185D+00 -0.493257D+00 -0.211118D+01  0.379494D+00
      2  -0.127461D+02 -0.662986D+00 -0.171136D+01  0.670833D+01  0.665665D+00
      3  -0.523595D+00  0.649448D+01 -0.745830D+01  0.710383D+00  0.705445D+01
               131           132           133           134           135 
      1   0.358149D+00 -0.343084D+01  0.204838D+01  0.583352D+01 -0.158810D+02
      2   0.739420D+00 -0.164147D+01 -0.147199D+01 -0.350835D+01  0.139156D+02
      3  -0.647605D+01 -0.591680D+00  0.518159D+00 -0.120577D+01  0.287151D+01
               136           137           138           139           140 
      1  -0.149865D+01  0.238137D-01 -0.386486D+00  0.820393D+00 -0.131722D+01
      2   0.216637D+01 -0.959064D-02  0.118052D+01  0.213128D+00  0.112626D+01
      3  -0.657803D+00 -0.158110D+01  0.199179D+01  0.836322D+00  0.116220D+01
               141           142           143           144           145 
      1  -0.790736D+00 -0.853443D+00  0.364986D+01 -0.108514D+02  0.367057D+01
      2  -0.356693D+00 -0.384031D+01  0.157315D+01  0.145035D+02  0.367433D+01
      3  -0.154860D+01  0.369149D+01 -0.205397D+01  0.927337D+00 -0.176462D+02
               146           147           148           149           150 
      1  -0.171060D+01  0.443533D+01 -0.111645D+01  0.135283D+01 -0.221308D+01
      2  -0.209693D+01  0.331708D+01 -0.142693D+01  0.115647D+01 -0.174904D+01
      3   0.266886D+01 -0.221206D+01  0.531335D+01 -0.277055D+01  0.138430D+00
               151           152           153           154           155 
      1   0.215571D+01 -0.103364D+01  0.667062D+00  0.159547D+01  0.980733D+00
      2   0.865719D+00 -0.120736D+01  0.623251D+00 -0.273483D+01 -0.145602D+01
      3  -0.451741D+01  0.407151D+00 -0.118735D+01 -0.113004D+02 -0.109155D+02
               156           157           158           159           160 
      1  -0.464925D+00  0.136332D+01  0.100979D+01 -0.461870D+00 -0.216024D+00
      2   0.486230D+01 -0.206887D+01 -0.202189D+01  0.362024D+01  0.170469D+01
      3   0.161500D+00 -0.862108D+01 -0.145734D+02  0.109640D+01  0.103783D+01
               161           162           163           164           165 
      1   0.744293D+00  0.281936D+00 -0.482093D+00  0.740587D+00  0.343691D+00
      2   0.873410D+00  0.170836D-01  0.569424D+00 -0.316325D+00 -0.271165D+00
      3   0.252687D+01 -0.787981D+00 -0.506480D+01  0.512202D+01  0.106787D+01
               166           167           168           169           170 
      1   0.540124D+00 -0.350817D+01 -0.456630D+01 -0.228667D+00 -0.136546D+01
      2  -0.492269D+00  0.822675D+00  0.213540D+01 -0.815409D+00  0.123177D+01
      3   0.806695D+01 -0.209160D+02 -0.205034D+01  0.242742D+01 -0.392199D+01
               171           172           173           174           175 
      1  -0.592656D+00 -0.120104D+01 -0.102363D+01 -0.214590D+01  0.117076D+01
      2   0.191185D+00 -0.429910D+01 -0.896321D+00  0.859683D+01  0.525064D+00
      3  -0.113412D+01 -0.104085D+02 -0.143763D+02  0.161407D+01 -0.960308D+01
               176           177           178           179           180 
      1   0.210105D+01 -0.421031D+01  0.242257D+01  0.458745D+01  0.543374D+00
      2  -0.161408D+01 -0.218536D+01  0.163576D+01  0.860936D-01 -0.370561D+01
      3   0.245578D+02  0.101558D+01  0.223187D+01  0.430553D+01 -0.218448D+01
               181           182           183           184           185 
      1  -0.166359D+01  0.534466D+00  0.815284D+00  0.109002D+01 -0.592374D+01
      2  -0.149457D+01  0.617168D+00  0.171389D+01  0.495612D+00 -0.240542D+01
      3   0.211938D+01 -0.113811D+01  0.727473D+00  0.100539D+01  0.236469D+02
               186           187           188           189           190 
      1  -0.526888D+01  0.110691D+01 -0.181284D+01 -0.371345D+00  0.218943D+01
      2  -0.295924D+01  0.563551D+00 -0.322420D+01  0.469224D+00  0.359772D+01
      3   0.223134D+01  0.212373D+01  0.405548D+01  0.248162D+01 -0.691797D-01
               191           192           193           194           195 
      1   0.144743D-01 -0.138941D+00 -0.697619D-01  0.962393D+00  0.788216D+00
      2  -0.169780D+00  0.283267D+00 -0.942042D+00  0.260832D+01  0.167893D+01
      3  -0.153094D+01 -0.163808D+01 -0.112585D+01  0.171283D+01 -0.212409D+01
               196           197           198           199           200 
      1   0.884265D+00  0.309671D+01  0.149242D+02  0.845398D+00  0.256035D-01
      2  -0.317121D+01 -0.286457D+01  0.251698D+02 -0.193122D+01  0.971976D-02
      3  -0.272517D+01 -0.371307D+01  0.264785D+01 -0.276635D+00  0.156147D+00
               201           202           203           204           205 
      1   0.115507D+01  0.574729D+00  0.229913D+01 -0.369507D+01 -0.321245D+01
      2  -0.107142D+01 -0.788403D+00 -0.226429D+01  0.351509D+01  0.142506D+00
      3  -0.121061D+01  0.751167D+00 -0.213081D+01  0.144902D+01 -0.351275D+01
               206           207           208           209           210 
      1  -0.447573D+01  0.180112D+02 -0.327658D+00  0.291618D+00 -0.826534D+00
      2   0.638851D+01 -0.156023D+02 -0.469280D-01  0.763864D-01  0.758179D+00
      3   0.452096D+01 -0.335454D+01 -0.481253D+01  0.429965D+01  0.448402D+00
               211           212           213           214           215 
      1   0.431801D-01 -0.397455D+01  0.260166D+00 -0.596325D+00  0.864235D+00
      2  -0.287413D+00 -0.698113D+00  0.555472D+01 -0.156303D+00  0.118286D+01
      3   0.635084D+01 -0.335923D+02  0.647877D+00  0.116338D+01 -0.160787D+01
               216 
      1   0.493110D-01
      2  -0.817455D+00
      3  -0.646039D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.265198D+01 -0.868581D+01 -0.339719D+00 -0.599809D+01  0.147178D+02
      2   0.200008D+01  0.122029D+02 -0.980933D+00  0.756681D+01 -0.281259D+02
      3  -0.465206D+01 -0.351708D+01  0.132065D+01 -0.156872D+01  0.134081D+02
      4  -0.403578D+01 -0.273875D+01 -0.950371D+00 -0.997907D+01  0.113927D+02
      5   0.215823D+01 -0.123446D+01 -0.895591D+00 -0.388084D+01  0.181045D+01
      6   0.716087D+00  0.219508D+01  0.971325D+00  0.307678D+01 -0.784229D+01
                 6             7             8             9            10 
      1   0.303914D+01  0.194414D+01  0.441124D+01  0.123425D+02 -0.245592D+02
      2  -0.813975D+00 -0.571364D+00 -0.120213D+02  0.653398D+01  0.118671D+02
      3  -0.222516D+01 -0.137278D+01  0.761007D+01 -0.188765D+02  0.126921D+02
      4   0.262000D+01 -0.234549D+01  0.383417D+01  0.465562D+00  0.128132D+02
      5   0.652128D+00  0.122931D+01  0.174156D+01 -0.152745D+02 -0.875896D+01
      6  -0.101814D+02 -0.584057D-01 -0.360058D+01  0.292058D+02  0.293282D+00
                11            12            13            14            15 
      1   0.596774D+01 -0.127874D+01  0.111831D+02  0.743710D+01  0.122642D+01
      2  -0.704380D+00  0.483510D+01 -0.651200D+01 -0.129203D+01 -0.166547D+01
      3  -0.526336D+01 -0.355636D+01 -0.467112D+01 -0.614507D+01  0.439052D+00
      4  -0.439229D+01  0.125720D+01  0.621934D+01 -0.652996D+01 -0.249843D+01
      5   0.110981D+01 -0.542829D+01  0.316140D+01 -0.771901D+00 -0.474994D+01
      6  -0.251451D+01  0.250099D+01 -0.136929D+01  0.430500D+00  0.296214D+00
                16            17            18            19            20 
      1  -0.129916D+02  0.276695D+01  0.822309D+01 -0.884902D+01  0.128944D+01
      2   0.439125D+01 -0.278410D+01  0.105097D+02  0.169878D+01 -0.830024D+01
      3   0.860039D+01  0.171495D-01 -0.187328D+02  0.715024D+01  0.701081D+01
      4   0.661456D+01 -0.430819D+01 -0.273024D+01 -0.829253D+01 -0.110445D+02
      5  -0.243488D+01 -0.257100D+01  0.414033D+02  0.295494D+01  0.162185D+01
      6   0.494236D+00  0.438068D+00  0.111159D+01 -0.231845D+00  0.178084D+01
                21            22            23            24            25 
      1  -0.166736D+01 -0.791794D+01 -0.459749D+01 -0.291462D+01  0.283177D+01
      2  -0.247965D+01  0.813309D+00  0.288036D+01 -0.838370D-01  0.130126D+01
      3   0.414701D+01  0.710464D+01  0.171713D+01  0.299846D+01 -0.413304D+01
      4   0.640549D+00 -0.136727D+02 -0.340201D+01 -0.449053D-01  0.456328D+01
      5  -0.612989D+01  0.254921D+01  0.497672D+00 -0.126814D+01  0.625235D+00
      6  -0.262586D+01 -0.323537D-01  0.385186D+01 -0.262460D+01 -0.465787D+00
                26            27            28            29            30 
      1   0.295253D+00  0.991849D+01 -0.118151D+02  0.133667D+02 -0.584272D+01
      2   0.141392D+01  0.125110D+02  0.478826D+01 -0.108991D+02  0.246632D+00
      3  -0.170918D+01 -0.224295D+02  0.702681D+01 -0.246762D+01  0.559608D+01
      4   0.482089D+01  0.836997D+00 -0.228042D+01 -0.101417D+02  0.354609D+01
      5   0.374344D+00 -0.152910D+02 -0.534284D+01  0.207370D+01 -0.131128D+02
      6   0.282613D+01 -0.170860D+02  0.491775D+01 -0.974261D+00  0.945790D-01
                31            32            33            34            35 
      1   0.907834D+01  0.681425D+01 -0.427246D+01 -0.305913D+01 -0.928058D+00
      2  -0.602858D+01 -0.632124D+01 -0.574560D-01 -0.307260D+01  0.265260D+01
      3  -0.304977D+01 -0.493010D+00  0.432992D+01  0.613173D+01 -0.172455D+01
      4  -0.895212D+01 -0.179825D+02 -0.191633D+01  0.167611D+01 -0.294788D+01
      5  -0.158446D-01 -0.898977D+00 -0.679529D+01 -0.463731D+01 -0.794174D-01
      6  -0.660028D+00  0.173051D+01 -0.438846D+01  0.749945D+00 -0.101588D+01
                36            37            38            39            40 
      1   0.938251D+01  0.439919D+01 -0.268510D+01 -0.133356D+01  0.568054D-02
      2   0.998870D+01 -0.827966D+00  0.292313D+01 -0.259736D+00  0.102685D+01
      3  -0.193712D+02 -0.357122D+01 -0.238031D+00  0.159329D+01 -0.103253D+01
      4   0.565397D+00 -0.800774D+00  0.220666D+02 -0.176316D+01  0.176552D+02
      5   0.342590D+02  0.200505D+01 -0.655660D-01  0.258533D+02 -0.168775D+01
      6  -0.126601D+02 -0.203517D+01  0.236529D+01  0.308677D+01 -0.489080D+00
                41            42            43            44            45 
      1  -0.188493D+02  0.533748D+01  0.144354D+01  0.418327D+01 -0.987371D+01
      2   0.254175D+02 -0.105884D+01 -0.227252D+01 -0.437331D+01 -0.289576D+01
      3  -0.656821D+01 -0.427865D+01  0.828983D+00  0.190043D+00  0.127695D+02
      4   0.382996D+01 -0.369812D+00 -0.748551D+01  0.170327D+00 -0.132539D+01
      5  -0.102802D+01  0.249141D+01  0.706177D+01  0.346779D-01  0.272169D+01
      6  -0.417596D+01  0.754537D+01 -0.761712D+00  0.907990D+01  0.103872D+01
                46            47            48            49            50 
      1  -0.135498D+02  0.203794D+01  0.621297D+01 -0.939052D+01 -0.182734D+01
      2   0.719465D+01 -0.877890D+01 -0.202849D+01 -0.925149D+00 -0.817672D+01
      3   0.635511D+01  0.674097D+01 -0.418447D+01  0.103157D+02  0.100041D+02
      4   0.826611D+00 -0.277525D+02 -0.157330D+01 -0.229673D+02 -0.501716D+01
      5   0.753845D+00 -0.116764D+01 -0.157583D+02  0.224770D+01  0.117377D+01
      6  -0.420329D+00 -0.336599D+01 -0.219798D+01  0.831821D+00  0.189176D+01
                51            52            53            54            55 
      1  -0.177780D+01  0.540325D+01 -0.225527D+01  0.137421D+02 -0.423079D+01
      2  -0.156684D+01  0.195304D+01  0.989618D+01  0.131554D+02 -0.403908D+01
      3   0.334464D+01 -0.735629D+01 -0.764090D+01 -0.268975D+02  0.826987D+01
      4   0.246926D+01  0.301910D+01  0.341514D+01  0.300934D+00  0.247759D+02
      5   0.722943D+01 -0.498818D+01 -0.136922D+01 -0.361015D+02 -0.308416D+01
      6  -0.346936D+01 -0.510256D+00 -0.215269D+01 -0.292962D+02  0.776676D+01
                56            57            58            59            60 
      1   0.119388D+01 -0.289361D+01  0.384353D+01 -0.386908D+02 -0.715695D+01
      2   0.449965D+01  0.102287D+01 -0.200993D+01  0.587481D+02  0.504385D+01
      3  -0.569353D+01  0.187074D+01 -0.183360D+01 -0.200573D+02  0.211310D+01
      4  -0.420669D+01  0.678481D+01  0.405069D+01 -0.171026D+02 -0.448469D+01
      5   0.126842D+01  0.521960D+01  0.202590D+01 -0.322272D+01 -0.132859D+01
      6  -0.256375D+01  0.262916D+01 -0.311022D+01  0.125696D+02  0.146079D+02
                61            62            63            64            65 
      1  -0.226944D+01 -0.105370D+02 -0.114692D+02  0.513456D-01  0.779807D+00
      2  -0.184183D+01  0.178063D+02  0.322459D+01 -0.375141D+01 -0.108148D+01
      3   0.411127D+01 -0.726936D+01  0.824462D+01  0.370006D+01  0.301675D+00
      4   0.124086D+02 -0.111883D+02 -0.257962D+01  0.103623D+01  0.255505D+01
      5   0.506817D+01 -0.438095D+01 -0.272993D+01  0.125752D+01 -0.928310D+00
      6  -0.544279D+00  0.170422D+02  0.675717D+01 -0.346607D+01 -0.662925D+00
                66            67            68            69            70 
      1   0.202958D+01  0.641768D+00 -0.493768D+01  0.310141D+01  0.235317D+01
      2  -0.665910D+00 -0.944104D+00  0.362884D+01 -0.360973D+01 -0.522161D+00
      3  -0.136367D+01  0.302336D+00  0.130885D+01  0.508327D+00 -0.183101D+01
      4  -0.288891D+01  0.238233D+01 -0.164281D+01  0.137532D+01 -0.408415D+01
      5   0.754200D+01  0.713194D-01  0.123886D+01 -0.134931D+00  0.481019D+01
      6   0.123369D+01 -0.257852D+00 -0.360731D+01  0.791823D+01 -0.239056D+00
                71            72            73            74            75 
      1   0.565844D+01 -0.195384D+02  0.303463D+02 -0.250069D+02  0.496539D+01
      2  -0.532814D+01 -0.152358D+02 -0.168168D+02  0.124103D+02 -0.662793D+01
      3  -0.330296D+00  0.347742D+02 -0.135294D+02  0.125967D+02  0.166254D+01
      4   0.336022D+01 -0.634498D+00 -0.316995D+02  0.735778D+01 -0.560296D+00
      5  -0.134896D+01  0.127459D+02  0.108927D+02 -0.264160D+00  0.983550D+01
      6   0.762345D+01 -0.275697D+02 -0.294818D+01  0.107453D+01 -0.302247D+01
                76            77            78            79            80 
      1  -0.465724D+02 -0.800216D+01  0.131219D+00  0.201766D+02  0.186882D-01
      2   0.262886D+02  0.100055D+02  0.888130D+00 -0.128057D+02  0.406898D-01
      3   0.202839D+02 -0.200329D+01 -0.101935D+01 -0.737097D+01 -0.593780D-01
      4   0.725770D+01 -0.233637D+02  0.589608D+01 -0.389028D+01  0.837288D+01
      5  -0.289155D+01  0.612977D+01 -0.663011D+01  0.173554D+02 -0.421085D+01
      6   0.425457D+00 -0.216489D+01  0.736295D+01 -0.265393D+01  0.547804D+01
                81            82            83            84            85 
      1   0.300767D+01  0.336373D+01 -0.137316D+01 -0.465317D+01 -0.934102D+00
      2  -0.100481D+02 -0.493686D+01  0.616913D+00  0.289269D+01  0.396474D+00
      3   0.704045D+01  0.157312D+01  0.756251D+00  0.176048D+01  0.537628D+00
      4  -0.444327D+01 -0.132028D+01  0.127007D+01  0.238691D+00  0.146978D+01
      5   0.597135D+01 -0.450487D+01 -0.406550D+00  0.787921D+01 -0.607422D+00
      6  -0.107871D+01  0.229911D+00  0.890642D-01  0.281395D+00 -0.106541D+01
                86            87            88            89            90 
      1  -0.427531D+01  0.337598D+00 -0.791121D+01  0.124306D+00 -0.165478D+02
      2   0.316606D+00  0.911349D+00  0.643662D+01  0.609474D+00 -0.186304D+02
      3   0.395871D+01 -0.124895D+01  0.147459D+01 -0.733781D+00  0.351783D+02
      4   0.195918D+01 -0.462548D+01  0.145567D+00 -0.567544D+01  0.135109D+01
      5  -0.472180D+01  0.248044D+01  0.842981D+01  0.163065D+01 -0.363973D+02
      6  -0.181436D+00  0.903963D+01 -0.934631D-01  0.532508D+01  0.153764D+01
                91            92            93            94            95 
      1   0.347551D+00 -0.446299D+00  0.226358D+01 -0.391869D+00 -0.240450D+01
      2  -0.319267D+01  0.895915D+00 -0.657018D+00  0.753564D+00 -0.934998D+00
      3   0.284512D+01 -0.449617D+00 -0.160656D+01 -0.361695D+00  0.333949D+01
      4  -0.112301D+00  0.288098D+01  0.154122D+01  0.351266D+01  0.183711D+00
      5   0.177862D+01 -0.847816D-01  0.671206D+01 -0.433898D+00  0.133539D+01
      6   0.175798D+01 -0.303346D+00 -0.830057D+00  0.169099D+00  0.136705D+01
                96            97            98            99           100 
      1  -0.740015D+00  0.273449D+01 -0.204161D+01 -0.199146D+02  0.292088D+02
      2   0.263522D+01 -0.193484D+01  0.351205D+01 -0.185160D+02 -0.121433D+02
      3  -0.189521D+01 -0.799658D+00 -0.147043D+01  0.384306D+02 -0.170655D+02
      4   0.164263D+01  0.296790D+01  0.323611D+01  0.337878D+00  0.255200D+02
      5  -0.985680D+00  0.570095D+01  0.321158D+00  0.138809D+02 -0.387136D+01
      6   0.722268D+01  0.515368D+00  0.523118D+01  0.158348D+02 -0.282631D+01
               101           102           103           104           105 
      1  -0.535413D+01 -0.166220D+01 -0.128180D+01  0.180944D+02  0.566925D+01
      2   0.149681D+02  0.398605D+01  0.704036D+01 -0.181910D+02 -0.478842D+01
      3  -0.961399D+01 -0.232385D+01 -0.575857D+01  0.965341D-01 -0.880825D+00
      4   0.269873D+02 -0.181934D+01  0.224109D+02 -0.182914D+00 -0.296207D+01
      5  -0.121765D+00  0.123412D+02 -0.548272D+00 -0.503614D+01  0.145260D+01
      6   0.181139D+00  0.423742D+01  0.186495D+00 -0.718346D+01  0.732784D+01
               106           107           108           109           110 
      1  -0.656121D+01  0.649968D+01 -0.215545D+01 -0.144477D+02 -0.121827D+02
      2   0.283330D+01 -0.103961D+02 -0.483599D+01  0.111431D+02  0.488347D+01
      3   0.372791D+01  0.389644D+01  0.699145D+01  0.330454D+01  0.729920D+01
      4  -0.694866D+01 -0.880707D+01  0.512860D+01 -0.148392D+02  0.171270D+01
      5   0.103651D+02  0.325404D+01 -0.237785D+01  0.140596D+02 -0.305302D+01
      6   0.595505D+01  0.739205D+01 -0.367439D+01 -0.824328D+01  0.505973D+01
               111           112           113           114           115 
      1   0.303467D+01 -0.331690D+02  0.145548D+02  0.233756D+01  0.243862D+02
      2  -0.592585D+01  0.251322D+02 -0.363252D+02 -0.847086D+01 -0.105413D+02
      3   0.289118D+01  0.803682D+01  0.217704D+02  0.613330D+01 -0.138448D+02
      4  -0.667628D+01 -0.808701D+01  0.415253D+02  0.676653D+01 -0.210908D+01
      5  -0.306986D+01  0.248712D+01  0.692930D+01 -0.736393D+01 -0.319498D+01
      6  -0.527941D+01  0.453819D+00 -0.391332D+01 -0.104229D+00  0.922393D+00
               116           117           118           119           120 
      1   0.180235D+01  0.193528D+02  0.323225D+01 -0.202976D+01 -0.242626D+01
      2  -0.603031D+01  0.891759D+01 -0.464589D+01  0.120309D+01  0.185255D+01
      3   0.422796D+01 -0.282704D+02  0.141364D+01  0.826672D+00  0.573717D+00
      4   0.969322D+01  0.642507D+01 -0.271870D+01  0.306961D+01  0.930803D+00
      5   0.608980D+01 -0.483213D+02 -0.315473D+01 -0.479615D+00  0.102282D+02
      6  -0.379521D+01  0.220311D+02  0.122292D+01  0.252988D+00 -0.102333D+01
               121           122           123           124           125 
      1  -0.163051D+01 -0.445365D+01 -0.874738D+00 -0.567271D+01 -0.985799D+00
      2   0.534423D+00  0.142234D+01  0.141045D+01  0.741592D+01  0.836341D+00
      3   0.109609D+01  0.303131D+01 -0.535713D+00 -0.174321D+01  0.149458D+00
      4   0.346994D+01  0.582234D+00 -0.219745D+01  0.356522D+01 -0.302838D+01
      5   0.157141D-02 -0.313429D+01  0.822982D+00  0.878672D+01 -0.117660D+01
      6  -0.539614D+00  0.161126D+01  0.839888D+01 -0.148441D+01  0.596051D+01
               126           127           128           129           130 
      1  -0.194113D+02  0.222092D+02  0.285417D+01  0.125770D+00  0.630036D+01
      2  -0.169688D+02 -0.175959D+01  0.107863D+02  0.151673D+01  0.750160D+01
      3   0.363800D+02 -0.204496D+02 -0.136405D+02 -0.164250D+01 -0.138020D+02
      4  -0.167117D+01  0.288894D+02  0.344393D+02 -0.810110D+00  0.324467D+02
      5  -0.257535D+02 -0.281657D+01 -0.930807D+00  0.103615D+02  0.277264D+00
      6   0.121635D+02 -0.526200D+00 -0.112487D+01  0.461775D+01  0.988526D+00
               131           132           133           134           135 
      1  -0.887528D+01 -0.592961D+00 -0.615092D+00 -0.446436D+01  0.544700D+01
      2   0.331284D+02  0.234956D+01  0.106214D+01  0.387622D+01 -0.424406D+01
      3  -0.242531D+02 -0.175660D+01 -0.447045D+00  0.588140D+00 -0.120294D+01
      4   0.346791D+02  0.191268D+01  0.400706D+01  0.616783D+01 -0.216660D+01
      5   0.152658D+01 -0.209746D+01  0.612294D+01 -0.285595D+01  0.236611D+02
      6   0.133781D+01  0.478156D+01  0.114156D+01  0.471942D-01  0.279548D+02
               136           137           138           139           140 
      1   0.420411D+00  0.707346D+00  0.377433D+01 -0.363362D+00 -0.339836D+01
      2  -0.322832D+01  0.591550D-02 -0.167178D+01  0.131790D+01  0.146340D+01
      3   0.280791D+01 -0.713262D+00 -0.210255D+01 -0.954533D+00  0.193496D+01
      4   0.169938D+01  0.483240D+01  0.339795D+01  0.494490D+01  0.170358D+01
      5   0.412089D+01  0.700306D+00  0.889975D+01 -0.309542D+00  0.277211D+01
      6   0.379298D+01 -0.786020D-01  0.582632D+00  0.117710D+00  0.362252D+01
               141           142           143           144           145 
      1  -0.222437D+01  0.323678D+01 -0.439214D+01 -0.202934D+02  0.123214D+02
      2   0.349461D+01 -0.398103D+01  0.234582D+01 -0.167675D+02  0.613701D+01
      3  -0.127025D+01  0.744249D+00  0.204632D+01  0.370609D+02 -0.184584D+02
      4   0.218000D+01  0.646880D+01  0.611276D+01  0.392993D+01 -0.366931D+02
      5  -0.978663D+00  0.957138D+01  0.396386D+01  0.279895D+02  0.315960D+00
      6   0.803852D+01  0.361264D+01  0.919815D+01  0.276419D+02 -0.383704D+01
               146           147           148           149           150 
      1   0.162213D+01  0.229141D+01 -0.137235D+01 -0.168997D+01  0.206734D+00
      2  -0.161179D+02  0.454566D+00 -0.710055D+01  0.116349D+02 -0.172509D+01
      3   0.144957D+02 -0.274598D+01  0.847289D+01 -0.994497D+01  0.151836D+01
      4   0.258637D+02 -0.366144D+01  0.178159D+02 -0.145141D+02  0.167357D+01
      5   0.322662D+00  0.371783D+01  0.529096D+00  0.466159D+00 -0.269466D+01
      6   0.103385D+01 -0.707439D+01  0.102452D+01 -0.101245D+01  0.369815D+01
               151           152           153           154           155 
      1   0.220451D+01  0.792587D+00  0.231560D+00  0.512689D+02  0.173655D+02
      2   0.114324D+01 -0.378050D+01  0.123261D+01 -0.281441D+02 -0.986108D+01
      3  -0.334774D+01  0.298791D+01 -0.146417D+01 -0.231249D+02 -0.750447D+01
      4  -0.791803D+01  0.527755D+01 -0.436582D+01  0.135818D+02  0.145299D+02
      5   0.341906D+01 -0.192222D+01  0.130977D+01  0.108259D+01  0.110815D+00
      6  -0.415453D+01  0.404809D+01 -0.890796D+00  0.138540D+01  0.133030D+01
               156           157           158           159           160 
      1  -0.122410D+01  0.360477D+02  0.136484D+02  0.468339D-02 -0.600891D+01
      2  -0.276958D+00 -0.206184D+02 -0.613070D+01 -0.610656D+00  0.350045D+01
      3   0.150106D+01 -0.154292D+02 -0.751768D+01  0.605973D+00  0.250846D+01
      4  -0.299150D+00  0.134872D+02  0.163172D+02 -0.148938D+01 -0.161955D+01
      5   0.809055D+01  0.110038D+01 -0.148043D+01  0.554757D+01  0.621278D+01
      6   0.131246D+00  0.139463D+01  0.100226D+01 -0.292190D+00  0.367221D+00
               161           162           163           164           165 
      1  -0.176447D+01  0.427853D+01 -0.163255D+01  0.571933D+01  0.102437D+01
      2   0.870793D+00 -0.290788D+01  0.311937D+01 -0.705405D+01 -0.101540D+01
      3   0.893678D+00 -0.137065D+01 -0.148683D+01  0.133472D+01 -0.896814D-02
      4  -0.237413D+01  0.149504D+01 -0.182027D+01 -0.416993D+00  0.552108D+00
      5   0.200826D+01  0.242985D+00  0.284325D+00 -0.486669D+00 -0.579497D+00
      6   0.109888D+01 -0.748406D+00  0.122432D+01 -0.798431D+00  0.739014D-01
               166           167           168           169           170 
      1   0.660355D+01 -0.293238D+02 -0.217875D+01  0.162041D+01 -0.554537D+01
      2  -0.217326D+01  0.484229D+02  0.379448D+01 -0.102918D+01  0.753061D+01
      3  -0.443029D+01 -0.190990D+02 -0.161573D+01 -0.591235D+00 -0.198524D+01
      4   0.825685D+01  0.268064D+02  0.166898D+01  0.112085D+01  0.411593D+01
      5  -0.272676D+00  0.298139D+01  0.418201D+01  0.915395D+00  0.241985D+01
      6  -0.243066D+00  0.377379D+01  0.635907D+01  0.294370D+00  0.568779D+01
               171           172           173           174           175 
      1  -0.267567D+01  0.840851D+02  0.318925D+01 -0.586020D+01  0.376301D+01
      2   0.360927D+01 -0.490934D+02 -0.333162D+00  0.788502D+01 -0.411352D+01
      3  -0.933598D+00 -0.349917D+02 -0.285609D+01 -0.202482D+01  0.350510D+00
      4   0.212198D+01 -0.419440D+01  0.149013D+02  0.305521D+01  0.233786D+02
      5   0.696175D-01 -0.130927D+02  0.132219D+01  0.163114D+02 -0.393404D-01
      6   0.155853D+01  0.362121D+01 -0.223387D+01  0.228421D+01 -0.125732D+01
               176           177           178           179           180 
      1   0.126428D+02  0.339099D+01 -0.238287D+02  0.808015D-02  0.671678D+01
      2  -0.601254D+00  0.119734D+01  0.146296D+02 -0.665377D+00 -0.139446D+02
      3  -0.120416D+02 -0.458833D+01  0.919908D+01  0.657297D+00  0.722781D+01
      4  -0.335198D+02 -0.425498D+01  0.140377D+01 -0.557419D+01 -0.155813D+01
      5  -0.480292D+01 -0.375449D+01  0.226355D+02  0.764876D+00 -0.786569D+01
      6   0.124707D+01  0.962403D+01 -0.243370D+01  0.523160D+01 -0.103659D+01
               181           182           183           184           185 
      1   0.341867D+01 -0.646251D+01 -0.314903D+01 -0.662441D+01 -0.214274D+02
      2   0.311126D+01  0.135198D+01  0.102206D+01 -0.431779D+01  0.505571D+02
      3  -0.652993D+01  0.511053D+01  0.212697D+01  0.109422D+02 -0.291297D+02
      4  -0.891927D+01  0.117164D+02  0.174525D+01  0.212839D+02 -0.560369D+02
      5  -0.277288D+01  0.498653D+00  0.307673D+01  0.291059D+00 -0.381525D+01
      6   0.188516D+01 -0.567646D+00 -0.117981D+01  0.143755D+00  0.211707D+01
               186           187           188           189           190 
      1  -0.200680D+01 -0.568718D+01 -0.380544D+01 -0.400304D+01  0.127056D+01
      2   0.470352D+01  0.130160D+01  0.789221D+01  0.314620D+01 -0.450553D+01
      3  -0.269672D+01  0.438558D+01 -0.408677D+01  0.856838D+00  0.323498D+01
      4  -0.432568D+01  0.492776D+01 -0.100207D+02 -0.684586D+01  0.103452D+01
      5  -0.593691D+01  0.371110D+01 -0.687302D+01  0.137805D+01  0.623289D+01
      6   0.753054D+01 -0.196747D+01  0.807009D+01  0.181832D+01 -0.207842D+01
               191           192           193           194           195 
      1   0.147161D+01  0.803740D+01  0.575358D+01 -0.492140D+01  0.845000D+00
      2  -0.137673D+01 -0.398680D+01 -0.441832D+01  0.407131D+01 -0.246085D+01
      3  -0.948792D-01 -0.405061D+01 -0.133526D+01  0.850087D+00  0.161585D+01
      4   0.178961D+01 -0.233233D+01  0.128747D+01 -0.518165D+01  0.460171D+01
      5  -0.579220D+00  0.706847D+01 -0.250616D-01  0.494659D+01  0.370806D+01
      6  -0.798156D+00  0.787051D+00  0.299957D+00 -0.163313D+01  0.462196D+01
               196           197           198           199           200 
      1   0.106049D+02  0.407968D+01 -0.229929D+02  0.855179D+00  0.169109D+01
      2  -0.780933D+01 -0.243585D+01 -0.158639D+02 -0.877546D+00 -0.510423D+00
      3  -0.279559D+01 -0.164383D+01  0.388568D+02  0.223667D-01 -0.118066D+01
      4  -0.481995D+01  0.737872D+01 -0.706459D+01  0.218364D+01  0.133428D+01
      5   0.113373D+02 -0.700630D+01  0.530368D+02 -0.132373D+01 -0.273628D+00
      6  -0.267815D+01  0.939361D+01 -0.239805D+02 -0.207401D+01  0.964767D+00
               201           202           203           204           205 
      1  -0.304673D+01  0.177656D+01 -0.471127D+01  0.250587D+01 -0.559873D+01
      2   0.137283D+01  0.896387D-01  0.703571D+01 -0.413883D+01  0.162382D+01
      3   0.167390D+01 -0.186620D+01 -0.232444D+01  0.163296D+01  0.397491D+01
      4  -0.184737D+01  0.333059D+01  0.574697D+01 -0.388296D+01 -0.108107D+02
      5  -0.666439D-01 -0.139018D+01 -0.332781D+01  0.603072D+01  0.646629D+01
      6  -0.210477D+01 -0.137927D+01 -0.548522D+01  0.846297D+01  0.551480D+01
               206           207           208           209           210 
      1   0.821573D+01 -0.112777D+02 -0.305827D+00  0.687510D+01  0.105502D+01
      2  -0.106956D+02  0.276577D+01  0.187244D+01 -0.268264D+01 -0.229183D+00
      3   0.247988D+01  0.851194D+01 -0.156662D+01 -0.419246D+01 -0.825841D+00
      4  -0.134792D+02  0.110820D+02  0.679440D+01 -0.677005D+00 -0.403737D+00
      5   0.105890D+02 -0.269133D+02  0.403471D+00 -0.848129D+00  0.130332D+01
      6   0.153859D+02 -0.327529D+02 -0.126903D+00 -0.341207D+00  0.182597D+01
               211           212           213           214           215 
      1   0.296969D+02 -0.281475D+01 -0.212994D+01  0.154557D+01 -0.872807D+00
      2  -0.173953D+02  0.194799D+01  0.209447D+01 -0.928925D+00  0.491313D+00
      3  -0.123015D+02  0.866758D+00  0.354696D-01 -0.616649D+00  0.381495D+00
      4  -0.345690D+01  0.411782D+02 -0.176770D+00 -0.857233D+00  0.144769D+01
      5  -0.263965D+01  0.432185D+00  0.101214D+02  0.297645D+01  0.203092D+01
      6   0.868770D+00 -0.124953D+01 -0.237658D+01 -0.939411D-01  0.194286D+01
               216 
      1   0.124367D+01
      2  -0.100248D+01
      3  -0.241184D+00
      4   0.134473D+01
      5  -0.206634D+01
      6   0.224390D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.159615D+01      0.405700D+01      0.135327D+02
   x         -0.136585D+01     -0.347164D+01     -0.115801D+02
   y          0.461541D+00      0.117312D+01      0.391311D+01
   z          0.684924D+00      0.174090D+01      0.580702D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119411D+03      0.176949D+02      0.196882D+02
   aniso      0.195489D+02      0.289685D+01      0.322318D+01
   xx         0.129826D+03      0.192382D+02      0.214054D+02
   yx         0.209817D+01      0.310917D+00      0.345942D+00
   yy         0.120314D+03      0.178287D+02      0.198371D+02
   zx        -0.611756D+00     -0.906529D-01     -0.100865D+00
   zy        -0.198080D+01     -0.293524D+00     -0.326590D+00
   zz         0.108093D+03      0.160178D+02      0.178222D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114294D+03      0.169366D+02      0.188445D+02
   aniso      0.248526D+02      0.368277D+01      0.409764D+01
   xx         0.127546D+03      0.189003D+02      0.210294D+02
   yx         0.142850D+01      0.211681D+00      0.235527D+00
   yy         0.115936D+03      0.171800D+02      0.191153D+02
   zx        -0.422172D+00     -0.625594D-01     -0.696067D-01
   zy        -0.189591D+01     -0.280945D+00     -0.312593D+00
   zz         0.993998D+02      0.147295D+02      0.163888D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.51243421          2.05185127          1.53649491
     6         -1.15796426         -0.36448472          2.93332797
     6          1.40188424          1.50004049         -0.52464397
     6          0.42813199         -0.59720092         -2.26050037
     8         -0.11382100         -2.78654584         -0.77695586
     6         -2.01071320         -2.39069448          1.05710267
     8          0.56065961          3.91403237          3.14865889
     1         -2.24146208          2.79035971          0.65892951
     8         -3.08365959          0.20954677          4.70522807
     1          0.54534489         -1.05918845          3.89819880
     1          3.15750760          0.84458810          0.36443230
     8          1.88747222          3.69337135         -2.00299005
     6          2.34339614         -1.37547956         -4.26706095
     1         -1.29449252          0.05542791         -3.21501197
     8         -2.50819052         -4.68132361          2.26898060
     1         -3.79115175         -1.81799585          0.16338590
     1         -0.61584822          4.22919099          4.50472352
     1         -3.64736660         -1.35669678          5.45076624
     1          2.25397852          5.06043141         -0.85172443
     8          2.61568606          0.47020758         -6.17774054
     1          1.67307866         -3.09862269         -5.17525860
     1          4.15379476         -1.80411954         -3.34652631
     1         -0.90523162         -5.42248654          2.73757268
     1          2.89283811          2.08062916         -5.35926139

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.159615D+01      0.405700D+01      0.135327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.159615D+01      0.405700D+01      0.135327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119411D+03      0.176949D+02      0.196882D+02
   aniso      0.195489D+02      0.289685D+01      0.322318D+01
   xx         0.112884D+03      0.167277D+02      0.186121D+02
   yx         0.335204D+01      0.496722D+00      0.552678D+00
   yy         0.121401D+03      0.179898D+02      0.200164D+02
   zx        -0.878865D+01     -0.130234D+01     -0.144905D+01
   zy        -0.230966D+01     -0.342256D+00     -0.380811D+00
   zz         0.123948D+03      0.183672D+02      0.204363D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114294D+03      0.169366D+02      0.188445D+02
   aniso      0.248526D+02      0.368277D+01      0.409764D+01
   xx         0.105915D+03      0.156950D+02      0.174630D+02
   yx         0.433503D+01      0.642385D+00      0.714749D+00
   yy         0.116442D+03      0.172549D+02      0.191987D+02
   zx        -0.113157D+02     -0.167681D+01     -0.186571D+01
   zy        -0.149072D+01     -0.220902D+00     -0.245786D+00
   zz         0.120525D+03      0.178599D+02      0.198719D+02

 ----------------------------------------------------------------------
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 IT WAS A GAME, A VERY INTERESTING GAME ONE COULD
 PLAY.  WHENEVER ONE SOLVED ONE OF THE LITTLE PROBLEMS,
 ONE COULD WRITE A PAPER ABOUT IT.  IT WAS VERY EASY IN
 THOSE DAYS FOR ANY SECOND-RATE PHYSICIST TO DO
 FIRST-RATE WORK.  THERE HAS NOT BEEN SUCH A GLORIOUS
 TIME SINCE.  IT IS VERY DIFFICULT NOW FOR A FIRST-RATE
 PHYSICIST TO DO SECOND-RATE WORK.
     P.A.M. DIRAC, ON THE EARLY DAYS OF QUANTUM MECHANICS
                   DIRECTIONS IN PHYSICS, 1978, P. 7
 Job cpu time:       0 days  7 hours 19 minutes 21.6 seconds.
 Elapsed time:       0 days  0 hours 55 minutes  3.0 seconds.
 File lengths (MBytes):  RWF=    433 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:08:56 2022.
